SCHEMBL12465425

SCHEMBL12465425

CCCC/C=C\SC(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
FAAH O00519 2/20 0.33
TRPV1 Q8NER1 2/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL28840439 0.75
SCHEMBL2210108 0.74 TSHR (0.41) TSHRALDH1A1FAAHTRPV1F7
SCHEMBL11250695 0.74 TSHR (0.41) TSHRALDH1A1FAAHTRPV1F7
SCHEMBL11250699 0.74 TSHR (0.41) TSHRALDH1A1FAAHTRPV1F7
SCHEMBL386780 0.72
SCHEMBL12361650 0.72
SCHEMBL28887417 0.70
SCHEMBL13660445 0.70
SCHEMBL23566850 0.69 FAAH (0.55) TSHRALDH1A1FAAHTRPV1F7
SCHEMBL93117 0.69 FAAH (0.55) TSHRALDH1A1FAAHTRPV1F7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985767-B2 Glaucoma or ocular hypertension; selective prostaglandin EP2 agonists; carboxy-functional amides or sulfonamide and carboxy bioisosteres thereof; 5-(-3-(N-(4-(1-hydroxyhexyl)phenyl)acetamido)butyl)thiophene-2-carboxylic acid for example ALLERGAN, INC. (US) 2011-07-26 US disclosed
US-20110172299-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES ALLERGAN, INC. (US) 2011-07-14 US disclosed
US-7960381-B2 Substituted gamma lactams as therapeutic agents ALLERGAN, INC. (US) 2011-06-14 US disclosed
US-20110062165-A1 BALANCED INDIVIDUAL DINING PLATE ALLERGAN INC 2011-03-17 US disclosed
US-20100093729-A1 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2010-04-15 US disclosed
US-7592366-B2 Therapeutic compounds ALLERGAN, INC. (US) 2009-09-22 US disclosed
US-20090197962-A1 SUBSTITUTED CYCLOPENTANES HAVING PROSTAGLANDIN ACTIVITY ALLERGAN, INC. 2009-08-06 US disclosed
US-7507833-B2 Therapeutic N-aryl or N-heteroaryl pyrazolidine and pyrazolidinone derivatives ALLERGAN, INC. (US) 2009-03-24 US disclosed
US-20080119539-A1 THERAPEUTIC AMIDES ALLERGAN, INC. 2008-05-22 US disclosed
US-20080045576-A1 THERAPEUTIC N-ARYL OR N-HETEROARYL PYRAZOLIDINE AND PYRAZOLIDINONE DERIVATIVES ALLERGAN, INC. 2008-02-21 US disclosed
US-20080015231-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2008-01-17 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 (6 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-20110172299-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES TUBB6, TUBB3, TUBB2A TSHR 3912/4885ALDH1A1 587/4885FAAH 1924/4885
US-20080119539-A1 THERAPEUTIC AMIDES GOT2, GOT1, ARG2 TSHR 2420/4885ALDH1A1 357/4885FAAH 81/4885
US-20100093729-A1 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS GLA, GUSB, GANAB TSHR 4164/4885ALDH1A1 1580/4885FAAH 3019/4885
US-20080045576-A1 THERAPEUTIC N-ARYL OR N-HETEROARYL PYRAZOLIDINE AND PYRAZOLIDINONE DERIVATIVES GOT2, GOT1, NME4 TSHR 1819/4885ALDH1A1 1555/4885FAAH 3626/4885
US-20090197962-A1 SUBSTITUTED CYCLOPENTANES HAVING PROSTAGLANDIN ACTIVITY PTGIS, PTGES, PTGS1 TSHR 3556/4885ALDH1A1 1258/4885FAAH 220/4885
US-20080015231-A1 THERAPEUTIC COMPOUNDS GOT2, ANXA5, COXFA4L2 TSHR 4392/4885ALDH1A1 438/4885FAAH 2697/4885

“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.