SCHEMBL5124451

SCHEMBL5124451

CC(C)(C)OC(=O)Nc1ccco1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4C Q9H3R0 1/20 0.42
BCL2 P10415 3/20 0.41
BECN1 Q14457 3/20 0.41
ATR Q13535 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2B P29275 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2014282 0.82 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL29140311 0.77 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL28983970 0.76 KDM4E (0.46) SMN1; SMN2NPC1RAB9AHTTKMT2A
SCHEMBL1258860 0.76 HPGD (0.50) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL7079634 0.75 RAB9A (0.64) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL28793821 0.75 RAB9A (0.62) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL12191262 0.74
SCHEMBL11145023 0.73 CTSS (0.49) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL9547521 0.73 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL27803426 0.72 CA1 (0.42) SMN1; SMN2MAPTHTTCTSSCTSK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064876-A1 Process for the preparation of substituted 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione CELGENE CORPORATION 2008-03-13 US claimed
WO-2024069634-A1 MICROTUBULE TARGETING AGENTS Ariel Scientific Innovations Ltd. (IL) 2024-04-04 WO disclosed
US-10662378-B2 Compound having fluorodibenzofuran ring, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2020-05-26 US disclosed
US-20200032143-A1 COMPOUND HAVING DIBENZOFURAN RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORPORATION (JP) 2020-01-30 US disclosed
US-10428273-B2 Liquid crystal compound having benzopyran skeleton, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2019-10-01 US disclosed
EP-2877462-B1 PROCESSES FOR PREPARING ISOINDOLINE-1,3-DIONE COMPOUNDS CELGENE CORP (US) 2019-09-04 EP disclosed
US-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2019-06-18 US disclosed
US-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-03 US disclosed
EP-3315583-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2018-05-02 EP disclosed
US-20180022998-A1 LIQUID CRYSTAL COMPOUND HAVING BENZOPYRAN SKELETON, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-01-25 US disclosed
US-20080064876-A1 Process for the preparation of substituted 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione CELGENE CORPORATION 2008-03-13 US disclosed
WO-2007136640-A2 PROCESSES FOR THE PREPARATION OF SUBSTITUTED 2-(2,6-DIOXOPIPERIDIN-3-YL)ISOINDOLE-1,3-DIONE CELGENE CORPORATION (US) 2007-11-29 WO disclosed
US-7247355-B2 Liquid crystal compound having chroman ring, liquid crystal composition comprising the compound and liquid crystal display device comprising the composition CHISSO CORPORATION (JP) 2007-07-24 US disclosed
US-7247355-B2 Liquid crystal compound having chroman ring, liquid crystal composition comprising the compound and liquid crystal display device comprising the composition CHISSO CORPORATION (JP) 2007-07-24 US disclosed
US-7244723-B2 Substituted furopyrimidinones as a mitotic kinesin inhibitors MERCK & CO., INC. (US) 2007-07-17 US disclosed
US-7244723-B2 Substituted furopyrimidinones as a mitotic kinesin inhibitors MERCK & CO., INC. (US) 2007-07-17 US disclosed
EP-1465896-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2006-01-11 EP disclosed
US-20050032817-A1 Kinesin spindle protein (KSP) inhibitors, e.g., 3-benzyl-2-(1-{(4-bromobenzyl)[2-(dimethylamino)ethyl]amino}propyl)furo[2,3-d]pyrimidin-4(3H)-one; antiproliferative and -carcinogenic agents; side effects reduction; cancers of the brain, genitourinary tract, lymphatic system, stomach, larynx and lung MERCK SHARP & DOHME CORP. 2005-02-10 US disclosed
EP-1465896-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2004-10-13 EP disclosed
WO-2003050122-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-06-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX1, PIEZO1, C1S SMN1; SMN2 3837/4885NPC1 1740/4885RAB9A 2259/4885
US-20050032817-A1 Kinesin spindle protein (KSP) inhibitors, e.g., 3-benzyl-2-(1-{(4-bromobenzyl)[2-(dimethylamino)ethyl]amino}propyl)furo[2,3-d]pyrimidin-4(3H)-one; antiproliferative and -carcinogenic agents; side effects reduction; cancers of the brain, genitourinary tract, lymphatic system, stomach, larynx and lung KIF2C, KIFC1, KIF5B SMN1; SMN2 2534/4885NPC1 2521/4885RAB9A 2293/4885
US-20080064876-A1 Process for the preparation of substituted 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione TNF, DHPS, IDO1 SMN1; SMN2 2108/4885NPC1 3122/4885RAB9A 3356/4885
US-10428273-B2 Liquid crystal compound having benzopyran skeleton, liquid crystal composition, and liquid crystal display device PIEZO1, PYCARD, NLRP1 SMN1; SMN2 4012/4885NPC1 2810/4885RAB9A 2454/4885
US-10323187-B2 Liquid crystal compound having biphenylene, liquid crystal composition and liquid crystal display device YBX1, PIEZO1, C1S SMN1; SMN2 3837/4885NPC1 1740/4885RAB9A 2259/4885
US-10662378-B2 Compound having fluorodibenzofuran ring, liquid crystal composition and liquid crystal display device YBX1, ZKSCAN2, RCC1 SMN1; SMN2 4282/4885NPC1 2198/4885RAB9A 2387/4885
US-20180022998-A1 LIQUID CRYSTAL COMPOUND HAVING BENZOPYRAN SKELETON, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE PIEZO1, NLRP1, PYCARD SMN1; SMN2 4017/4885NPC1 2871/4885RAB9A 2583/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.