SCHEMBL5140966

SCHEMBL5140966

CCCC(O)CC(=O)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
TRPA1 O75762 2/20 0.49
CNR2 P34972 2/20 0.46
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
AKR1B1 P15121 1/20 0.44
TRPV1 Q8NER1 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.42
DPP4 P27487 1/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41
NPC1 O15118 1/20 0.41
MMP3 P08254 1/20 0.41
CASP1 P29466 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL3098659 0.84 MMP12 (0.58) POLBTRPA1CNR2CES2CES1
SCHEMBL3085039 0.80 TRPA1 (0.69) TRPA1CES2CES1AKR1B1TRPV1
SCHEMBL21944189 0.80 TSHR (0.53) POLBTRPA1CNR2CES2CES1
SCHEMBL106992 0.76 TSHR (0.53) POLBCNR2CES2CES1AKR1B1
SCHEMBL18196797 0.76 ALDH1A1 (0.53) TDP1L3MBTL1TSHRDPP4MMP9
SCHEMBL8862339 0.76 ALDH1A1 (0.53) TDP1L3MBTL1TSHRDPP4MMP9
SCHEMBL15156248 0.75 POLB (0.54) POLBCNR2CES2CES1AKR1B1
SCHEMBL108380 0.75 TSHR (0.49) POLBTRPA1CNR2CES2CES1
SCHEMBL10420359 0.75 DPP4 (0.55) POLBTRPA1CES2CES1TDP1
SCHEMBL21908588 0.75 TSHR (0.45) POLBCNR2CES2CES1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326797-B2 Manufacture of isoflavones DSM IP ASSETS B.V. (NL) 2008-02-05 US disclosed
CN-100363357-C Preparation of isoflavones DSM IP ASSETS BV (NL) 2008-01-23 CN disclosed
EP-1523478-B1 MANUFACTURE OF ISOFLAVONES DSM IP ASSETS BV (NL) 2007-12-12 EP disclosed
US-20050256321-A1 Manufacture of isoflavones DSM IP ASSETS B.V. (NL) 2005-11-17 US disclosed
CN-1684950-A Preparation of isoflavones DSM IP ASSETS BV (NL) 2005-10-19 CN disclosed
EP-1523478-A2 MANUFACTURE OF ISOFLAVONES DSM IP Assets B.V. (NL) 2005-04-20 EP disclosed
WO-2004009576-A2 MANUFACTURE OF ISOFLAVONES DSM IP ASSETS B.V. (NL) 2004-01-29 WO 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-20050256321-A1 Manufacture of isoflavones HAAO, HAO2, CYP2F1 POLB 2555/4885TRPA1 4510/4885CNR2 2986/4885

“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.