SCHEMBL1121408

SCHEMBL1121408

CCOc1cc(C=O)ccc1OC(C)C

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
TACR2 P21452 1/20 0.56
MAPT P10636 3/20 0.52
HPGD P15428 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
KDM4E B2RXH2 2/20 0.51
FDPS P14324 1/20 0.49
ALDH1A3 P47895 1/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 1/20 0.46
RXFP1 Q9HBX9 1/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TOP2A P11388 1/20 0.43

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
SCHEMBL11683846 0.88 ALDH1A1 (0.60) ALDH1A1TACR2MAPTHPGDTDP1
SCHEMBL22572791 0.86 ALDH1A1 (0.55) ALDH1A1TACR2MAPTHPGDTDP1
SCHEMBL30159697 0.86 ALDH1A1 (0.73) ALDH1A1TACR2MAPTHPGDTDP1
SCHEMBL1713698 0.86 ALDH1A1 (0.57) ALDH1A1MAPTHPGDTDP1NPSR1
SCHEMBL493684 0.86 ALDH1A1 (0.73) ALDH1A1TACR2MAPTHPGDTDP1
SCHEMBL1143785 0.86 ALDH1A1 (0.58) ALDH1A1TACR2MAPTHPGDTDP1
SCHEMBL1748352 0.86 ALDH1A1 (0.58) ALDH1A1TACR2MAPTHPGDTDP1
SCHEMBL31619160 0.86 ALDH1A1 (0.58) ALDH1A1TACR2MAPTHPGDTDP1
SCHEMBL16953712 0.84 KMT2A (0.49) ALDH1A1TACR2KDM4EMEN1KMT2A
SCHEMBL16958172 0.84 KMT2A (0.44) ALDH1A1TACR2MAPTHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767295-B2 Isoindole derivative TIANJIN HEMAY PHARMACEUTICAL CO., LTD. (CN) 2023-09-26 US disclosed
US-20210155590-A1 ISOINDOLE DERIVATIVE TIANJIN HEMAY PHARMACEUTICAL CO., LTD. (CN) 2021-05-27 US disclosed
EP-3782983-A1 ISOINDOLE DERIVATIVE Tianjin Hemay Pharmaceutical Co., Ltd. (CN) 2021-02-24 EP disclosed
WO-2019201255-A1 ISOINDOLE DERIVATIVE 天津合美医药科技有限公司 2019-10-24 WO disclosed
EP-2044054-B1 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY HOFFMANN LA ROCHE (CH) 2011-06-08 EP disclosed
EP-1924579-B1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-02-09 EP disclosed
US-20100240654-A1 HYDRAZIDE DERIVATIVES CLARK RICHARD 2010-09-23 US disclosed
EP-2142528-B1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS HOFFMANN LA ROCHE (CH) 2010-07-07 EP disclosed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
US-6476264-B2 ANTICOAGULANT HOFFMANN-LA ROCHE INC. 2002-11-05 US disclosed
US-6472393-B1 Serine protease inhibitors GENENTECH, INC. 2002-10-29 US disclosed
CN-1342139-A Serine protease inhibitors GENENTECH INC (US) 2002-03-27 CN disclosed
EP-1144373-A3 SERINE PROTEASE INHIBITORS Genentech, Inc. (US) 2002-01-02 EP disclosed
EP-1149069-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
EP-1144373-A2 SERINE PROTEASE INHIBITORS Genentech, Inc. (US) 2001-10-17 EP disclosed
US-6242644-B1 FOR TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION, INFLAMATION AND ARTHEROSCLEROSIS HOFFMANN-LA ROCHE INC. 2001-06-05 US disclosed
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2001-05-24 US disclosed
WO-2000041531-A2 SERINE PROTEASE INHIBITORS GENENTECH, INC. (US) 2000-07-20 WO disclosed
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 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 (4 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-11767295-B2 Isoindole derivative COX4I1, ALDH1A2, GDI2 ALDH1A1 78/4885TACR2 181/4885MAPT 2958/4885
US-20100240654-A1 HYDRAZIDE DERIVATIVES H1-10, H1-4, H1-3 ALDH1A1 192/4885TACR2 2836/4885MAPT 3787/4885
US-20210155590-A1 ISOINDOLE DERIVATIVE COX4I1, ALDH1A2, GDI2 ALDH1A1 78/4885TACR2 181/4885MAPT 2958/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ALDH1A1 2850/4885TACR2 1029/4885MAPT 1417/4885

“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.