SCHEMBL3165508

SCHEMBL3165508

O=c1ccc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c[nH]1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.45
ALDH1A1 P00352 2/20 0.39
MAP4K4 O95819 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GRM8 O00222 1/20 0.36
GRM4 Q14833 1/20 0.36
CNR1 P21554 4/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL11535826 0.93 CNR1 (0.44) CYP19A1ALDH1A1CNR1HTT
SCHEMBL3165454 0.82 EPHX2 (0.43) ALDH1A1KMT2AGRM8GRM4CNR1
SCHEMBL3165240 0.80 EPHX2 (0.46) ALDH1A1MEN1KMT2AGRM8GRM4
SCHEMBL3175909 0.80 MEN1 (0.46) ALDH1A1MEN1KMT2AGRM8GRM4
SCHEMBL11536497 0.78 CYP19A1 (0.40) CYP19A1CNR1
SCHEMBL3172692 0.76 SLC2A1 (0.49) ALDH1A1MEN1KMT2AHTT
SCHEMBL608856 0.75
SCHEMBL4088048 0.75 CYP19A1 (0.70) CYP19A1TSHRMAPK1HIF1ATDP1
SCHEMBL11539443 0.74 ACP3 (0.41) ALDH1A1KMT2AGRM8GRM4CNR1
SCHEMBL11542571 0.73 CNR1 (0.43) CYP19A1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273745-B2 Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC (JP) 2012-09-25 US disclosed
EP-2094662-B1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC (JP) 2012-04-11 EP disclosed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 US disclosed
US-4138488-A Diphenylmethyl picolinic acid derivatives and their use as anti-acne agents SCHERING CORPORATION (US) 1979-02-06 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 (1 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-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS HRH2, HRH1, HRH4 CYP19A1 3741/4885ALDH1A1 3727/4885MAP4K4 3037/4885

“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.