SCHEMBL3178933

SCHEMBL3178933

OCC=CCc1cccc(OCc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.62
CYP4A11 Q02928 1/20 0.62
BCHE P06276 3/20 0.54
MAOB P27338 5/20 0.53
MAOA P21397 1/20 0.53
NR4A2 P43354 1/20 0.53
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
PKM P14618 2/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
RAB9A P51151 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LCK P06239 1/20 0.50

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
SCHEMBL3178924 1.00 CYP4F2 (0.62) CYP4F2CYP4A11BCHEMAOBMAOA
SCHEMBL4268579 0.83 MAOB (0.58) CYP4F2CYP4A11BCHEMAOBMAOA
SCHEMBL4268581 0.83 MAOB (0.58) CYP4F2CYP4A11BCHEMAOBMAOA
SCHEMBL14382193 0.83 MAOB (0.58) CYP4F2CYP4A11BCHEMAOBMAOA
SCHEMBL13859154 0.80 MAOB (0.64) CYP4F2CYP4A11BCHEMAOBMAOA
SCHEMBL1009475 0.80 MAOB (0.68) CYP4F2CYP4A11BCHEMAOBMAOA
SCHEMBL15018330 0.80 LCK (0.68) CYP4F2CYP4A11BCHEMAOBMAOA
SCHEMBL15008588 0.80 LCK (0.68) CYP4F2CYP4A11BCHEMAOBMAOA
SCHEMBL15008587 0.80 LCK (0.68) CYP4F2CYP4A11BCHEMAOBMAOA
SCHEMBL29462055 0.80 CYP4F2 (0.74) CYP4F2CYP4A11BCHEMAOBMAOA

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 CYP4F2 4600/4885CYP4A11 3026/4885BCHE 1637/4885

“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.