Sugi Predict

Sugi Predict / Compounds / SCHEMBL877398

SCHEMBL877398

SCHEMBL877398

CCCCCOC(=O)C1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ LMNA P02545 4/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ PPARG P37231 3/20 0.51
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CHRM2 P08172 5/20 0.46
▸ CHRM1 P11229 5/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ KCNH2 Q12809 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CHRM4 P08173 3/20 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
SCHEMBL21861229 0.83 HDAC3 (0.40) TSHRCYP3A4LMNAALDH1A1PPARG
SCHEMBL6276470 0.82 HDAC4 (0.49) TSHRCYP3A4TP53MAPK1LMNA
SCHEMBL9880795 0.82 TSHR (0.46) TSHRCYP3A4LMNAPPARGTDP1
SCHEMBL21675546 0.82 KMT2A (0.64) TSHRCYP3A4LMNAALDH1A1PPARG
SCHEMBL1419881 0.82 CYP1A2 (0.55) TSHRCYP3A4LMNAALDH1A1L3MBTL1
SCHEMBL9360939 0.81 LMNA (0.40) TSHRTP53MAPK1LMNAALDH1A1
SCHEMBL16352944 0.80 CHRM2 (0.49) TSHRCYP3A4TP53MAPK1LMNA
SCHEMBL16352901 0.79 CHRM1 (0.56) TSHRCYP3A4LMNATDP1CHRM2
SCHEMBL28340183 0.79 TSHR (0.50) TSHRCYP3A4TP53MAPK1LMNA
SCHEMBL14369818 0.79 ATM (0.45) TSHRCYP3A4TP53MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008013427-A1 ORGANIC TFTS AND METHOD FOR FABRICATING THE SAME LG CHEM, LTD. (KR) 2008-01-31 — — WO claimed
CN-107109445-B Organic acids from homocitric acid and homocitric acid derivatives 生物琥珀酸有限公司 2021-03-09 — — CN disclosed
EP-3096369-B1 ORGANIC SOLAR CELL AND METHOD FOR MANUFACTURING SAME LG CHEMICAL LTD (KR) 2020-10-14 — — EP disclosed
CN-107109445-A Organic acids from homocitric acid and homocitric acid derivatives 生物琥珀酸有限公司 2017-08-29 — — CN disclosed
US-9624161-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2017-04-18 — — US disclosed
US-9623021-B2 Nuclear receptor binding agents GTX, INC. (US) 2017-04-18 — — US disclosed
US-9604931-B2 Nuclear receptor binding agents GTX, INC. (US) 2017-03-28 — — US disclosed
US-20170014401-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2017-01-19 — — US disclosed
US-20160343956-A1 ORGANIC SOLAR CELL AND METHOD FOR MANUFACTURING SAME LG CHEMICAL LTD (KR) 2016-11-24 — — US disclosed
EP-3096369-A1 ORGANIC SOLAR CELL AND METHOD FOR MANUFACTURING SAME LG Chem, Ltd. (KR) 2016-11-23 — — EP disclosed
US-20090062341-A1 Nuclear receptor binding agents GTX, INC 2009-03-05 — — US disclosed
US-20090030036-A1 Nuclear receptor binding agents GTX, INC. 2009-01-29 — — US disclosed
WO-2008130571-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2008-10-30 — — WO disclosed
EP-1973908-A2 PROCESSES AND INTERMEDIATES USEFUL FOR PREPARING INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2008-10-01 — — EP disclosed
WO-2008091555-A2 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2008-07-31 — — WO disclosed
US-20080039487-A1 Processes and intermediates useful for preparing integrase inhibitor compounds GILEAD SCIENCES, LLC 2008-02-14 — — US disclosed
WO-2008013427-A1 ORGANIC TFTS AND METHOD FOR FABRICATING THE SAME LG CHEM, LTD. (KR) 2008-01-31 — — WO disclosed
US-20070265296-A1 Nuclear receptor binding agents GTX, INC. 2007-11-15 — — US disclosed
WO-2007076005-A2 PROCESSES AND INTERMEDIATES USEFUL FOR PREPARING INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2007-07-05 — — WO disclosed
US-6342349-B1 A SOLID SUPPORT SUBSTRATE CONTAINING A CLEAVABLE SIGNAL ELEMENT, A SIGNAL RESPONSIVE MOIETY AND A CLEAVABLE SPACER; ANALYTES BIND THE SIGNAL ELEMENT, ANCHORING THE RESPONSIVE MOIETY TO THE ELEMENT SUBSTRATE-ATTACHING END AFTER CLEAVAGE BURSTEIN TECHNOLOGIES, INC. 2002-01-29 — — US 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 (6 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-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 TSHR 405/4885CYP3A4 1000/4885TP53 3001/4885
US-20170014401-A1 NUCLEAR RECEPTOR BINDING AGENTS ESRRB, ESRRG, ESRRA TSHR 258/4885CYP3A4 3242/4885TP53 4022/4885
US-20160343956-A1 ORGANIC SOLAR CELL AND METHOD FOR MANUFACTURING SAME DSG1, VCL, SUN2 TSHR 4583/4885CYP3A4 1961/4885TP53 1282/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 TSHR 405/4885CYP3A4 1000/4885TP53 3001/4885
US-20090030036-A1 Nuclear receptor binding agents NR0B1, NR2E3, NR0B2 TSHR 191/4885CYP3A4 2085/4885TP53 2495/4885
US-20080039487-A1 Processes and intermediates useful for preparing integrase inhibitor compounds TYMP, DUT, SAMHD1 TSHR 4632/4885CYP3A4 182/4885TP53 1002/4885

“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.