SCHEMBL4199453

SCHEMBL4199453

O=C(C=CC=Cc1ccc2c(c1)COO2)N1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.65
▸ HPGD P15428 4/20 0.65
▸ TRPV1 Q8NER1 4/20 0.65
▸ ALOX5 P09917 3/20 0.65
▸ MAOB P27338 3/20 0.65
▸ KDM4E B2RXH2 3/20 0.65
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ NPC1 O15118 3/20 0.65
▸ RAB9A P51151 3/20 0.65
▸ CYP3A4 P08684 2/20 0.65
▸ HSD17B10 Q99714 2/20 0.65
▸ GABRA1 P14867 2/20 0.65
▸ GABRB2 P47870 2/20 0.65
▸ CTSD P07339 1/20 0.65
▸ ABCB1 P08183 1/20 0.65
▸ MAOA P21397 1/20 0.65
▸ MAPK1 P28482 1/20 0.65
▸ DHODH Q02127 1/20 0.65
▸ HDAC6 Q9UBN7 1/20 0.65
▸ LMNA P02545 1/20 0.65

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
SCHEMBL4199451 1.00 ALDH1A1 (0.65) ALDH1A1HPGDTRPV1ALOX5MAOB
Piperine SCHEMBL29369346 0.79 MAOB (1.00) ALDH1A1HPGDTRPV1ALOX5MAOB
Piperine SCHEMBL29358781 0.79 MAOB (1.00) ALDH1A1HPGDTRPV1ALOX5MAOB
Piperine SCHEMBL29370397 0.79 MAOB (1.00) ALDH1A1HPGDTRPV1ALOX5MAOB
SCHEMBL17340450 0.79 MAOB (1.00) ALDH1A1HPGDTRPV1ALOX5MAOB
Piperine SCHEMBL14171509 0.79 MAOB (1.00) ALDH1A1HPGDTRPV1ALOX5MAOB
Piperine SCHEMBL5309092 0.79 MAOB (1.00) ALDH1A1HPGDTRPV1ALOX5MAOB
Piperine SCHEMBL94058 0.79 MAOB (1.00) ALDH1A1HPGDTRPV1ALOX5MAOB
Piperine SCHEMBL119081 0.79 MAOB (1.00) ALDH1A1HPGDTRPV1ALOX5MAOB
Piperine SCHEMBL13151642 0.79 MAOB (1.00) ALDH1A1HPGDTRPV1ALOX5MAOB

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 4 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
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 ALDH1A1 1223/4885HPGD 1520/4885TRPV1 105/4885
US-20090004236-A1 PESTICIDAL EAR TAG TMPO, BRDT, AADAC ALDH1A1 2725/4885HPGD 3642/4885TRPV1 76/4885

“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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