SCHEMBL3526862

SCHEMBL3526862

Fc1cc2ccccc2[c]c1Cl

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.32
CYP1A2 P05177 1/20 0.32
HPRT1 P00492 1/20 0.31

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
SCHEMBL563528 0.78 CYP2A6 (0.34) CYP2A6CYP1A2HPRT1
SCHEMBL2460965 0.78 CYP2A6 (0.34) CYP2A6CYP1A2
SCHEMBL11247416 0.75 TRPM4 (0.39) CYP2A6CYP1A2
SCHEMBL3525513 0.75 CYP2A6 (0.32) CYP2A6CYP1A2
SCHEMBL3269198 0.75 ACHE (0.34) CYP2A6CYP1A2HPRT1
SCHEMBL10822588 0.75 BRD4 (0.37) CYP2A6CYP1A2
SCHEMBL24252 0.71 CYP2A6 (0.41) CYP2A6CYP1A2
SCHEMBL9844190 0.71 CYP2A6 (0.38) CYP2A6CYP1A2
SCHEMBL23607335 0.69 NR4A2 (0.38)
SCHEMBL8596507 0.69 HPRT1 (0.34) CYP2A6CYP1A2HPRT1

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 5 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
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

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-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 CYP2A6 237/4885CYP1A2 255/4885HPRT1 4129/4885
US-20070010495-A1 10-HYDROXY-11-DIHYDROPROSTAGLANDIN ANALOGS AS SELECTIVE EP4 AGONISTS PTGER4, PTGER2, PTGER1 CYP2A6 208/4885CYP1A2 296/4885HPRT1 3515/4885

“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.