SCHEMBL4037425

SCHEMBL4037425

c1ccc2c3cc4ccccc4c-3cccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
HSD17B10 Q99714 6/20 0.58
HPGD P15428 5/20 0.58
TSHR P16473 4/20 0.58
HIF1A Q16665 3/20 0.58
MAPK1 P28482 2/20 0.58
CASP1 P29466 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CYP1B1 Q16678 1/20 0.52
GPR84 Q9NQS5 1/20 0.51
KDM4E B2RXH2 2/20 0.48
ALPL P05186 1/20 0.48
GAA P10253 1/20 0.48
TP53 P04637 1/20 0.48
CASP7 P55210 1/20 0.48
CYP2A6 P11509 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CYP1A2 P05177 3/20 0.44

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
SCHEMBL28067095 0.95 ALDH1A1 (0.59) ALDH1A1HSD17B10HPGDTSHRHIF1A
SCHEMBL4099492 0.89 ALDH1A1 (0.56) ALDH1A1HSD17B10HPGDTSHRHIF1A
SCHEMBL25302086 0.89 ALDH1A1 (0.59) ALDH1A1HSD17B10HPGDTSHRHIF1A
SCHEMBL27953 0.89 ALDH1A1 (0.59) ALDH1A1HSD17B10HPGDTSHRHIF1A
SCHEMBL29350007 0.89 ALDH1A1 (0.59) ALDH1A1HSD17B10HPGDTSHRHIF1A
SCHEMBL1377047 0.88 ALDH1A1 (0.57) ALDH1A1HSD17B10HPGDTSHRHIF1A
SCHEMBL27367910 0.88 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDTSHRHIF1A
SCHEMBL28968712 0.88 HPRT1 (0.64) ALDH1A1HSD17B10HPGDTSHRHIF1A
SCHEMBL3799705 0.87 HPRT1 (0.48) ALDH1A1HSD17B10HPGDTSHRHIF1A
Anthracene SCHEMBL4659489 0.86 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDTSHRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160271143-A1 ESTROGEN RECEPTOR MODULATORS FOR REDUCING BODY WEIGHT ROSSCREENING INC (US) 2016-09-22 US claimed
US-20140378424-A1 ESTROGEN RECEPTOR MODULATORS FOR REDUCING BODY WEIGHT ROSSCREENING INC (US) 2014-12-25 US claimed
WO-2013102207-A1 ESTROGEN RECEPTOR MODULATORS FOR REDUCING BODY WEIGHT ROSSCREENING, INC. (US) 2013-07-04 WO claimed
EP-1284977-B1 THIENODIBENZOAZULENE COMPOUNDS AS TUMOR NECROSIS FACTOR INHIBITORS GLAXOSMITHKLINE ZAGREB (HR) 2009-06-24 EP claimed
US-20060111340-A1 1-thia-3-aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2006-05-25 US claimed
EP-1492797-B1 1-OXA-3-AZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PRODUCTION THEREOF PLIVA ISTRAZIVACKI INST D O O (HR) 2006-03-15 EP claimed
US-20050148576-A1 1-Oxa-3-aza-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the production thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-07-07 US claimed
US-20050130956-A1 1-oxa 3-aza-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the production thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-06-16 US claimed
US-20050107350-A1 Method for the treatment or prevention of bone disorders with a cyclooxygenase-2 inhibitor alone and in combination with a bone disorder treatment agent and compositions therewith PHARMACIA CORPORATION (US) 2005-05-19 US claimed
EP-1509532-A1 1-THIA-3-AZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF Pliva - Istrazivacki Institut d.o.o. (HR) 2005-03-02 EP claimed
EP-1492797-A1 1-OXA-3-AZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PRODUCTION THEREOF PLIVA-ISTRAZIVACKI INSTITUT d.o.o. (HR) 2005-01-05 EP claimed
WO-2003099827-A1 1-THIA-3-AZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA - ISTRAZIVACKI INSTITUT D.O.O. (HR) 2003-12-04 WO claimed
WO-2003084964-A1 1-OXA-3-AZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PRODUCTION THEREOF PLIVA - ISTRAZIVACKI INSTITUT D.O.O. (HR) 2003-10-16 WO claimed
US-20030153750-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA FARMACEUTSKA INDUSTRIJA, DIONICKO DRUSTVO 2003-08-14 US claimed
EP-1284977-A1 THIENODIBENZOAZULENE COMPOUNDS AS TUMOR NECROSIS FACTOR INHIBITORS PLIVA-ISTRAZIVACKI INSTITUT d.o.o. (HR) 2003-02-26 EP claimed
WO-2001087890-A1 THIENODIBENZOAZULENE COMPOUNDS AS TUMOR NECROSIS FACTOR INHIBITORS PLIVA, FARMACEUTSKA INDUSTRIJA, DIONIKO DRUSTVO (HR) 2001-11-22 WO claimed
CN-110290816-A For targeting the radioactive marking material of application 澳大利亚国立大学 2019-09-27 CN disclosed
CN-104411667-B The manufacture method of 1,3,3,3-tetrafluoropropene 中央硝子株式会社 2016-11-09 CN disclosed
WO-2001087890-A1 THIENODIBENZOAZULENE COMPOUNDS AS TUMOR NECROSIS FACTOR INHIBITORS PLIVA, FARMACEUTSKA INDUSTRIJA, DIONIKO DRUSTVO (HR) 2001-11-22 WO disclosed
EP-0035903-B1 DIBENZOCYCLOHEPTENYLIDENES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS AMERICAN HOME PRODUCTS CORPORATION (US) 1984-10-17 EP 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 (5 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-20030153750-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors TNF, IL1B, IL1A ALDH1A1 48/4885HSD17B10 769/4885HPGD 62/4885
US-20050148576-A1 1-Oxa-3-aza-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the production thereof TNF, IL1A, IL1B ALDH1A1 42/4885HSD17B10 1176/4885HPGD 183/4885
US-20060111340-A1 1-thia-3-aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof IL1A, TNF, IL1B ALDH1A1 40/4885HSD17B10 1552/4885HPGD 156/4885
US-20050107350-A1 Method for the treatment or prevention of bone disorders with a cyclooxygenase-2 inhibitor alone and in combination with a bone disorder treatment agent and compositions therewith PTGS2, PTGES2, PTGS1 ALDH1A1 1192/4885HSD17B10 493/4885HPGD 14/4885
US-20050130956-A1 1-oxa 3-aza-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the production thereof TNF, IL1A, IL1B ALDH1A1 34/4885HSD17B10 1253/4885HPGD 184/4885

“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.