SCHEMBL398877

SCHEMBL398877

Nc1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
HSD17B10 Q99714 2/20 0.58
KIF11 P52732 5/20 0.56
L3MBTL1 Q9Y468 1/20 0.48
JAK2 O60674 1/20 0.47
TSHR P16473 1/20 0.46
PTGS1 P23219 2/20 0.45
BACE1 P56817 2/20 0.43
PARP1 P09874 1/20 0.43
S1PR1 P21453 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP2C19 P33261 1/20 0.42
HDAC2 Q92769 1/20 0.42
MAOB P27338 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
CHUK O15111 1/20 0.41
TXNRD1 Q16881 1/20 0.41

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
Fluoride SCHEMBL9251966 0.98 ALDH1A1 (0.56) ALDH1A1HSD17B10KIF11L3MBTL1JAK2
Hydrochloric Acid SCHEMBL2846560 0.98 ALDH1A1 (0.56) ALDH1A1HSD17B10KIF11L3MBTL1JAK2
SCHEMBL12636456 0.88 ALDH1A1 (0.46) ALDH1A1HSD17B10KIF11L3MBTL1JAK2
SCHEMBL17840160 0.84 KIF11 (0.68) ALDH1A1HSD17B10KIF11JAK2TSHR
SCHEMBL8025255 0.82 KIF11 (0.65) ALDH1A1HSD17B10KIF11JAK2TSHR
SCHEMBL6480845 0.82 ALDH1A1 (0.83) ALDH1A1HSD17B10L3MBTL1TSHRKDM4E
SCHEMBL28607330 0.82 ALDH1A1 (0.50) ALDH1A1HSD17B10KIF11L3MBTL1TSHR
SCHEMBL28930463 0.81 ALDH1A1 (0.50) ALDH1A1HSD17B10L3MBTL1
SCHEMBL5647970 0.81 KIF11 (0.47) ALDH1A1KIF11JAK2TSHRPTGS1
SCHEMBL4574243 0.81 KIF11 (0.56) ALDH1A1HSD17B10KIF11JAK2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115785131-B Method for synthesizing high-efficiency luminescent complex material with tunable luminescent wavelength 五邑大学 2024-05-17 CN claimed
EP-1819223-B1 USE OF MENADIONE FOR BOOSTING THE EFFECTIVENESS OF AGROCHEMICALS BASF SE (DE) 2008-03-12 EP claimed
US-11661403-B2 Oxadiazole compounds VIVACE THERAPEUTICS, INC. (US) 2023-05-30 US disclosed
US-11186554-B2 Non-fused tricyclic compounds VIVACE THERAPEUTICS, INC. (US) 2021-11-30 US disclosed
US-20210238154-A1 OXADIAZOLE COMPOUNDS VIVACE THERAPEUTICS, INC. 2021-08-05 US disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3618818-A1 NON-FUSED TRICYCLIC COMPOUNDS Vivace Therapeutics, Inc. (US) 2020-03-11 EP disclosed
US-20200062721-A1 NON-FUSED TRICYCLIC COMPOUNDS VIVACE THERAPEUTICS, INC. 2020-02-27 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
EP-3052495-B1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-06-26 EP disclosed
US-20080183021-A1 Method for Producing Substituted Biphenyls BASF SE (DE) 2008-07-31 US disclosed
CN-101175727-A Pyrazole carboxamides as fungicides BASF AG (DE) 2008-05-07 CN disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
EP-1881964-A1 PYRAZOLOCARBOXAMIDES AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2008-01-30 EP disclosed
EP-1856024-A1 METHOD FOR PRODUCING SUBSTITUTED BIPHENYLS BASF AKTIENGESELLSCHAFT (DE) 2007-11-21 EP disclosed
WO-2006120219-A1 PYRAZOLOCARBOXAMIDES AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2006-11-16 WO disclosed
WO-2006092429-A1 METHOD FOR PRODUCING SUBSTITUTED BIPHENYLS BASF AKTIENGESELLSCAHFT (DE) 2006-09-08 WO disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 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 (8 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-20200062721-A1 NON-FUSED TRICYCLIC COMPOUNDS YAP1, MYC, TEAD2 ALDH1A1 3497/4885HSD17B10 2588/4885KIF11 2182/4885
US-11186554-B2 Non-fused tricyclic compounds YAP1, MYC, TEAD2 ALDH1A1 3497/4885HSD17B10 2588/4885KIF11 2182/4885
US-20210238154-A1 OXADIAZOLE COMPOUNDS YAP1, TEAD2, TEAD3 ALDH1A1 2353/4885HSD17B10 2502/4885KIF11 2552/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885HSD17B10 1468/4885KIF11 4684/4885
US-20080183021-A1 Method for Producing Substituted Biphenyls CBR3, DDT, HRH3 ALDH1A1 2309/4885HSD17B10 880/4885KIF11 2708/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 ALDH1A1 2651/4885HSD17B10 1678/4885KIF11 4575/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 ALDH1A1 2221/4885HSD17B10 1602/4885KIF11 4443/4885
US-11661403-B2 Oxadiazole compounds YAP1, TEAD2, TEAD3 ALDH1A1 2353/4885HSD17B10 2502/4885KIF11 2552/4885

“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.