SCHEMBL3524997

SCHEMBL3524997

Cc1[c]c2cccc(C)c2c(C)c1C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
TRPA1 O75762 1/20 0.33
ATM Q13315 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL4800808 0.79 TRPA1 (0.40) CYP1A2CYP2A6TRPA1ATMCA1
SCHEMBL4800802 0.79 TRPA1 (0.40) TRPA1ATMCA1CA2ALDH1A1
SCHEMBL8016156 0.77
SCHEMBL6391235 0.76
SCHEMBL8064535 0.70 CYP1A2 (0.44) CYP1A2CYP2A6TRPA1ATMCA1
SCHEMBL718918 0.68 CYP1A2 (0.36) CYP1A2CYP2A6ATMALDH1A1TSHR
SCHEMBL10434554 0.66 CYP1A2 (0.58) CYP1A2CYP2A6TRPA1ATMCA1
SCHEMBL6048372 0.65 ACHE (0.39) CYP1A2CA1CA2CA7CA9
SCHEMBL18317668 0.64 HPGD (0.47) CYP1A2CYP2A6ATMALDH1A1TSHR
SCHEMBL668494 0.64 CYP1A2 (0.42) CYP1A2CYP2A6TRPA1ATMCA1

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-7652063-B2 For therapy of asthma, dysmenorrhea, osteoporosis, bone disorders, constipation, renal disorders, sexual dysfunction, baldness, acute hepatitis, bronchitis, burn, chronic obstructive respiratory diseases, Crohn's disease, digestive ulcer, hemophagous syndrome, hepatopathy, hypercytokinemia at dialysis ALLERGAN, INC. (US) 2010-01-26 US disclosed
US-7169807-B2 10-Hydroxy-11-dihydroprostaglandin analogs as selective EP4 agonists ALLERGAN, INC. (US) 2007-01-30 US disclosed
US-20070010495-A1 10-HYDROXY-11-DIHYDROPROSTAGLANDIN ANALOGS AS SELECTIVE EP4 AGONISTS ALLERGAN, INC. (US) 2007-01-11 US disclosed
US-20050277751-A1 Resin and a coating solution for forming insulating film, and a method for forming an insulating film SUMITOMO CHEMICAL COMPANY, LIMITED 2005-12-15 US disclosed
WO-2005100339-A1 10-HYDROXY-11-DIHYDROPROSTAGLANDIN ANALOGS AS SELECTIVE EP4 AGONISTS ALLERGAN, INC. (US) 2005-10-27 WO disclosed
US-20050228185-A1 For therapy of asthma, dysmenorrhea, osteoporosis, bone disorders, constipation, renal disorders, sexual dysfunction, baldness, acute hepatitis, bronchitis, burn, chronic obstructive respiratory diseases, Crohn's disease, digestive ulcer, hemophagous syndrome, hepatopathy, hypercytokinemia at dialysis ALLERGAN, INC. (US) 2005-10-13 US disclosed
US-20040127715-A1 Adamantane compounds and insulating film forming coating solutions SUMITOMO CHEMICAL COMPANY, LIMITED 2004-07-01 US disclosed
US-20030143332-A1 Coating solution for forming insulating film SUMITOMO CHEMICAL COMPANY, LIMITED 2003-07-31 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 (4 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-20050228185-A1 For therapy of asthma, dysmenorrhea, osteoporosis, bone disorders, constipation, renal disorders, sexual dysfunction, baldness, acute hepatitis, bronchitis, burn, chronic obstructive respiratory diseases, Crohn's disease, digestive ulcer, hemophagous syndrome, hepatopathy, hypercytokinemia at dialysis CRHR2, HRH4, CNR2 CYP1A2 255/4885CYP2A6 237/4885TRPA1 1581/4885
US-20070010495-A1 10-HYDROXY-11-DIHYDROPROSTAGLANDIN ANALOGS AS SELECTIVE EP4 AGONISTS PTGER4, PTGER2, PTGER1 CYP1A2 296/4885CYP2A6 208/4885TRPA1 930/4885
US-20030143332-A1 Coating solution for forming insulating film TET1, TAS1R1, ITGA1 CYP1A2 2233/4885CYP2A6 4215/4885TRPA1 1676/4885
US-20040127715-A1 Adamantane compounds and insulating film forming coating solutions CHRNA1, ANO1, CHRNA2 CYP1A2 298/4885CYP2A6 2168/4885TRPA1 279/4885

“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.