SCHEMBL3175909

SCHEMBL3175909

Cc1ccc(C(c2ccc(C)cc2)c2ccc(=O)[nH]c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
GAA P10253 4/20 0.46
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RORC P51449 1/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
GRM8 O00222 1/20 0.36
GRM4 Q14833 1/20 0.36
LMNA P02545 1/20 0.35
CHRNA7 P36544 1/20 0.34
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 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
SCHEMBL3165454 0.82 EPHX2 (0.43) KMT2AALDH1A1MAPTHTTGRM8
SCHEMBL3165508 0.80 CYP19A1 (0.45) MEN1KMT2AALDH1A1HTTGRM8
SCHEMBL3165240 0.80 EPHX2 (0.46) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL3172692 0.79 SLC2A1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2RORC
SCHEMBL31019611 0.78
SCHEMBL11542166 0.78 GAA (0.45) MEN1KMT2AGAAALDH1A1MAPT
Benzene SCHEMBL27872529 0.76 ALDH1A1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL122911 0.75 ACHE (0.57) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL11535826 0.74 CNR1 (0.44) ALDH1A1HTT
SCHEMBL1104785 0.74 ALDH1A1 (0.44) MEN1KMT2AGAAALDH1A1SMN1; SMN2

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 MEN1 3534/4885KMT2A 2733/4885GAA 1450/4885

“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.