SCHEMBL3691054

SCHEMBL3691054

C/C=C\c1ccc2c(c1)COO2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.51
▸ ATM Q13315 1/20 0.51
▸ CNR2 P34972 1/20 0.39
▸ PTGES O14684 5/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ TYR P14679 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP19A1 P11511 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GSK3B P49841 1/20 0.30

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
SCHEMBL3691057 1.00 CYP3A4 (0.51) CYP3A4ATMCNR2PTGESALOX5
SCHEMBL11693672 0.81 RELA (0.43) CYP19A1
SCHEMBL11694805 0.79 XDH (0.43) CYP3A4ATMALOX5KDM4EALDH1A1
SCHEMBL11859595 0.79 IAPP (0.49) KDM4EALDH1A1MEN1MAPTHPGD
SCHEMBL2453905 0.78 CYP3A4 (0.46) CYP3A4ATMKDM4EALDH1A1GSK3B
SCHEMBL11700989 0.78 ALDH1A1 (0.37) ALDH1A1TP53
SCHEMBL3579764 0.77 KDM4E (0.56) CYP3A4ALOX5TYRKDM4EALDH1A1
SCHEMBL11694410 0.77 KDM4E (0.56) CYP3A4ALOX5TYRKDM4EALDH1A1
SCHEMBL11699552 0.76 VCP (0.57) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL11693842 0.76 KDM4E (0.60) CYP3A4TYRKDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9320752-B2 Pesticidal ear tag Y-TEX CORPORATION (US) 2016-04-26 — — US disclosed
US-20130273134-A1 PESTICIDAL EAR TAG Y-TEX CORPORATION 2013-10-17 — — US disclosed
US-8425925-B2 Pesticidal tag Y-TEX CORPORATION (US) 2013-04-23 — — US disclosed
EP-2173164-A1 PESTICIDAL EAR TAG Y-Tex Corporation (UA) 2010-04-14 — — EP disclosed
WO-2009005513-A1 PESTICIDAL EAR TAG Y-TEX CORPORATION (US) 2009-01-08 — — WO disclosed
US-20090004236-A1 PESTICIDAL EAR TAG Y-TEX CORPORATION 2009-01-01 — — 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 (2 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-20130273134-A1 PESTICIDAL EAR TAG ABAT, AADAC, BRDT CYP3A4 1931/4885ATM 4752/4885CNR2 3349/4885
US-20090004236-A1 PESTICIDAL EAR TAG TMPO, BRDT, AADAC CYP3A4 2192/4885ATM 4582/4885CNR2 3907/4885

“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.

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