SCHEMBL10094682

SCHEMBL10094682

COc1ccccc1-c1cc(F)ccc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.58
S1PR1 P21453 4/20 0.50
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
RAB9A P51151 1/20 0.44
APP P05067 1/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 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
SCHEMBL10304909 0.89 S1PR1 (0.46) HTR7S1PR1
SCHEMBL10304910 0.87 HTR7 (0.44) HTR7S1PR1
SCHEMBL10304924 0.86 S1PR1 (0.45) HTR7S1PR1LMNAUSP2CYP1A2
SCHEMBL10304911 0.84 NFE2L2 (0.47) HTR7S1PR1HSD17B10RAB9ASMN1; SMN2
SCHEMBL277907 0.83 HTR7 (0.59) HTR7ALDH1A1LMNAHSD17B10RAB9A
SCHEMBL10304929 0.82 CYP1A2 (0.45) S1PR1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL11281941 0.81 HTR7 (0.58) HTR7ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL24017203 0.80 APP (0.43) HTR7S1PR1ALDH1A1LMNAUSP2
SCHEMBL321430 0.80 CA1 (0.55) HTR7S1PR1ALDH1A1RAB9AAPP
SCHEMBL30377758 0.79 NISCH (0.52) LMNACA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858952-B2 Compound and color conversion film comprising same LG CHEM, LTD. (KR) 2024-01-02 US disclosed
US-11858952-B2 Compound and color conversion film comprising same LG CHEM, LTD. (KR) 2024-01-02 US disclosed
US-20210347790-A1 COMPOUND AND COLOR CONVERSION FILM COMPRISING SAME LG CHEM, LTD. (KR) 2021-11-11 US disclosed
US-20120264770-A1 HSP90 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-18 US disclosed
US-20120172321-A1 HSP90 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 US disclosed
US-20090305998-A1 HSP90 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-10 US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 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-20090305998-A1 HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 HTR7 3675/4885S1PR1 4592/4885ALDH1A1 1601/4885
US-20210347790-A1 COMPOUND AND COLOR CONVERSION FILM COMPRISING SAME BLVRB, CDYL, CRY1 HTR7 1697/4885S1PR1 4664/4885ALDH1A1 689/4885
US-11858952-B2 Compound and color conversion film comprising same BLVRB, CDYL, CRY1 HTR7 1697/4885S1PR1 4664/4885ALDH1A1 689/4885
US-20120264770-A1 HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 HTR7 3675/4885S1PR1 4592/4885ALDH1A1 1601/4885
US-20120172321-A1 HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 HTR7 3675/4885S1PR1 4592/4885ALDH1A1 1601/4885
US-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 HTR7 3208/4885S1PR1 1283/4885ALDH1A1 2989/4885

“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.