SCHEMBL3689388

SCHEMBL3689388

CO/N=C(/C([O])=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
GAA P10253 1/20 0.42
CYP2C19 P33261 1/20 0.42
CES1 P23141 5/20 0.41
CES2 O00748 4/20 0.41
TYMP P19971 1/20 0.41
LMNA P02545 3/20 0.40
F2 P00734 1/20 0.40
ALDH1A1 P00352 3/20 0.39
DAO P14920 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
MAPT P10636 4/20 0.39
CDK5 Q00535 2/20 0.39
CDK5R1 Q15078 2/20 0.39
RAB9A P51151 2/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.39
SRC P12931 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL3689389 1.00 TSHR (0.47) TSHRGAACYP2C19CES1CES2
SCHEMBL3689392 0.86 TSHR (0.48) TSHRGAACYP2C19CES1CES2
SCHEMBL3958996 0.86 TSHR (0.48) TSHRGAACYP2C19CES1CES2
SCHEMBL8007984 0.86 TSHR (0.48) TSHRGAACYP2C19CES1CES2
SCHEMBL2045474 0.85 TSHR (0.44) TSHRGAACYP2C19CES1CES2
SCHEMBL2045476 0.85 TSHR (0.44) TSHRGAACYP2C19CES1CES2
SCHEMBL7651351 0.84 CES1 (0.48) TSHRGAACYP2C19CES1CES2
SCHEMBL9900449 0.84 CES2 (0.50) TSHRGAACYP2C19CES1CES2
SCHEMBL7805644 0.84 CES1 (0.48) TSHRGAACYP2C19CES1CES2
SCHEMBL9900446 0.84 CES2 (0.50) TSHRGAACYP2C19CES1CES2

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 8 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
JP-2008143818-A OXIME GROUP-CONTAINING MILBEMYCIN DERIVATIVE SANKYO AGRO KK 2008-06-26 JP disclosed
JP-2007246462-A 3,4-DIHYDROXYMILBEMYCIN DERIVATIVE AND METHOD FOR PRODUCING THE SAME SANKYO AGRO KK 2007-09-27 JP 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 TSHR 1393/4885GAA 1805/4885CYP2C19 2322/4885
US-20090004236-A1 PESTICIDAL EAR TAG TMPO, BRDT, AADAC TSHR 760/4885GAA 2249/4885CYP2C19 2331/4885

“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.