SCHEMBL3521641

SCHEMBL3521641

Clc1cc2s[c]c(Cl)c2c(Cl)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.36
HPGD P15428 4/20 0.34
HSD17B10 Q99714 4/20 0.34
TSHR P16473 3/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPK1 P28482 1/20 0.34
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
CASP1 P29466 1/20 0.32
AHR P35869 3/20 0.31
AKR1B1 P15121 1/20 0.30

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
SCHEMBL3528809 0.74 CYP3A4 (0.34) CYP3A4MAPK1
SCHEMBL577481 0.65 MAPK1 (0.38) HPGDHSD17B10TSHRMAPK1
SCHEMBL5534496 0.61 CYP3A4 (0.36) CYP3A4HPGDHSD17B10TSHRHSP90AA1
SCHEMBL2089126 0.60 CYP3A4 (0.35) CYP3A4AHR
SCHEMBL15901930 0.59
Pentachlorobenzene SCHEMBL183144 0.57 CYP3A4 (1.00) CYP3A4HPGDHSD17B10TSHRHSP90AA1
Pentachlorobenzene SCHEMBL11455164 0.57 CYP3A4 (1.00) CYP3A4HPGDHSD17B10TSHRHSP90AA1
SCHEMBL11343864 0.56 CYP3A4 (0.56) CYP3A4HPGDHSD17B10TSHRHSP90AA1
SCHEMBL29629112 0.56 CYP3A4 (0.56) CYP3A4HPGDHSD17B10TSHRHSP90AA1
Pentachlorobenzene SCHEMBL29897265 0.54 CYP3A4 (0.92) CYP3A4HPGDHSD17B10TSHRHSP90AA1

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 CYP3A4 217/4885HPGD 113/4885HSD17B10 631/4885
US-20070010495-A1 10-HYDROXY-11-DIHYDROPROSTAGLANDIN ANALOGS AS SELECTIVE EP4 AGONISTS PTGER4, PTGER2, PTGER1 CYP3A4 167/4885HPGD 85/4885HSD17B10 500/4885

“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.