SCHEMBL3356087

SCHEMBL3356087

CCC[CH]Oc1ccc(Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
PPARA Q07869 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
ABCB11 O95342 1/20 0.35
TSHR P16473 1/20 0.35
HTR2A P28223 1/20 0.35
PMP22 Q01453 1/20 0.35
MAOB P27338 3/20 0.34
MAOA P21397 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 1/20 0.33
CYP2A6 P11509 1/20 0.33
PTGS2 P35354 1/20 0.33
PPARG P37231 1/20 0.33
KCNH2 Q12809 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL712372 0.83 HTR2A (0.37) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL9243164 0.79 NQO1 (0.58) TSHRKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9363954 0.79 NFE2L2 (0.39) CYP1A2TSHRMAOBMAOAMEN1
SCHEMBL100407 0.78 LTA4H (0.41) TSHR
SCHEMBL23581930 0.76 CHRNB2 (0.41) CYP1A2CYP3A4HPGDNPC1RAB9A
SCHEMBL16179196 0.73 KCNH2 (0.43) CYP1A2CYP3A4MEN1KMT2AKCNH2
SCHEMBL10735235 0.73 TDP1 (0.45) CYP1A2TSHRMEN1KMT2ALMNA
SCHEMBL10887507 0.72 IDO1 (0.45) PPARAMAOBMAOAPPARGKCNH2
SCHEMBL10724096 0.72 BCL9 (0.51) CYP3A4TSHRMAOBMEN1KMT2A
SCHEMBL3225876 0.71 ALDH1A1 (0.38) LMNA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4455367-A CYAN COUPLERS FUJI PHOTO FILM CO., LTD. (JP) 1984-06-19 US claimed
US-4454225-A COUPLERS PREVENTING YELLOW IDSCOLORATION AT UNEXPOSED AREAS FUJI PHOTO FILM CO., LTD. (JP) 1984-06-12 US claimed
US-4334011-A CYAN DYE FORMING COUPLER FUJI PHOTO FILM CO., LTD. (JP) 1982-06-08 US claimed
US-8871794-B2 Small-molecule agonists for type-2 orexin receptor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-10-28 US disclosed
US-20140051700-A1 Small-molecule agonists for type-2 orexin receptor UNIVERSITY OF TEXAS, BOARD OF REGENTS 2014-02-20 US disclosed
US-8258163-B2 Small-molecule agonists for type-2 orexin receptor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-09-04 US disclosed
US-20100150840-A1 Small-molecule agonists for type-2 orexin receptor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-06-17 US disclosed
US-4639447-A Azolylnitriles, and fungicides containing these compounds BASF AKTIENGESELLSCHAFT (DE) 1987-01-27 US disclosed
EP-0164088-A2 Azolyl nitriles and fungicides containing them BASF Aktiengesellschaft (DE) 1985-12-11 EP disclosed
EP-0129798-A1 Fungicidal azole compounds, their preparation and use BASF Aktiengesellschaft (DE) 1985-01-02 EP disclosed
US-4455367-A CYAN COUPLERS FUJI PHOTO FILM CO., LTD. (JP) 1984-06-19 US disclosed
US-4454225-A COUPLERS PREVENTING YELLOW IDSCOLORATION AT UNEXPOSED AREAS FUJI PHOTO FILM CO., LTD. (JP) 1984-06-12 US disclosed
US-4334011-A CYAN DYE FORMING COUPLER FUJI PHOTO FILM CO., LTD. (JP) 1982-06-08 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 (2 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-20100150840-A1 Small-molecule agonists for type-2 orexin receptor HCRTR2, HCRTR1, OXTR ALOX5 1063/4885PPARA 494/4885CYP1A2 647/4885
US-20140051700-A1 Small-molecule agonists for type-2 orexin receptor HCRTR2, HCRTR1, OXTR ALOX5 1063/4885PPARA 494/4885CYP1A2 647/4885

“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.