SCHEMBL15929720

SCHEMBL15929720

COC(OC)C(O)CCCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.45
FAAH O00519 1/20 0.45
MAOB P27338 2/20 0.44
CSNK1E P49674 1/20 0.43
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAOA P21397 1/20 0.41
S1PR2 O95136 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 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
SCHEMBL27269115 0.87 MMP12 (0.44) KMT2AALDH1A1CYP2D6
SCHEMBL19382573 0.82 CSNK1E (0.50) TRPA1FAAHMAOBCSNK1EMAOA
SCHEMBL14975377 0.80 TRPA1 (0.50) TRPA1MAOBCSNK1EKMT2AALDH1A1
SCHEMBL8063607 0.78 L3MBTL1 (0.47) MAOBL3MBTL1MAOA
SCHEMBL19511954 0.77 GRIK1 (0.42) TRPA1FAAH
SCHEMBL27183313 0.76 TRPA1 (0.53) TRPA1FAAH
SCHEMBL560219 0.76 TRPA1 (0.51) TRPA1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL10473806 0.76 TRPA1 (0.51) TRPA1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL16058107 0.76 TRPA1 (0.51) TRPA1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL7458497 0.76 RCE1 (0.45) TRPA1FAAHMAOBCSNK1E

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-20160311804-A1 Process BIAL-PORTELA & CA, S.A. (PT) 2016-10-27 US disclosed
US-9346751-B2 Process for preparing 1, 3-Dihydroimidazole-2-Thione Derivatives BIAL-PORTELA & CA, S.A. (PT) 2016-05-24 US disclosed
US-20140221668-A1 Process BIAL-PORTELA & CA, S.A. (PT) 2014-08-07 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-20140221668-A1 Process DHPS, CYP3A5, SULT1E1 TRPA1 2984/4885FAAH 4182/4885MAOB 1334/4885
US-20160311804-A1 Process DHPS, CYP3A5, SULT1E1 TRPA1 2984/4885FAAH 4182/4885MAOB 1334/4885

“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.