SCHEMBL3159401

SCHEMBL3159401

O=C(c1ccccc1)N(C/C=C/c1cccc2[nH]ccc12)CCC(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 9/20 0.44
▸ MC5R P33032 9/20 0.44
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ MC3R P41968 9/20 0.39
▸ NOD2 Q9HC29 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ MGAM O43451 1/20 0.38
▸ SI P14410 1/20 0.38
▸ MGAM2 Q2M2H8 1/20 0.38

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
SCHEMBL3159411 1.00 MC4R (0.44) MC4RMC5RMEN1KMT2ANPC1
SCHEMBL3169663 0.78 PTGDR2 (0.38) MC4RMC5RMEN1KMT2AALDH1A1
SCHEMBL3169671 0.78 PTGDR2 (0.38) MC4RMC5RMEN1KMT2AALDH1A1
SCHEMBL3169353 0.77 NR1H2 (0.40) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3169345 0.77 NR1H2 (0.40) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3168994 0.75 HDAC1 (0.47) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL3166132 0.71 ALDH1A1 (0.38) MC4RMC5RMEN1KMT2AALDH1A1
SCHEMBL3159433 0.69 CDK4 (0.59) MC4RMC5RMEN1KMT2ANPC1
SCHEMBL10502860 0.69 MAPT (0.69) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL3173586 0.67 MEN1 (0.49) MEN1KMT2ANPC1ALDH1A1MAPT

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 3 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

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 MC4R 196/4885MC5R 40/4885MEN1 3534/4885

“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.

Send feedback