SCHEMBL12936629

SCHEMBL12936629

CC(C)OCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.55
AGXT P21549 2/20 0.55
TAAR1 Q96RJ0 2/20 0.45
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
GSTP1 P09211 1/20 0.42
MAPT P10636 1/20 0.41
ABCC4 O15439 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
PTGS1 P23219 1/20 0.41
HTT P42858 1/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
NAAA Q02083 2/20 0.40

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
SCHEMBL1337524 0.91 IDO1 (0.41) IDO1AGXTPPARGPPARA
SCHEMBL15003 0.87 TSHR (0.52) IDO1AGXTTAAR1ALDH1A1CYP1A2
Lithium SCHEMBL9504699 0.85 TSHR (0.50) IDO1AGXTTAAR1ALDH1A1CYP1A2
Ammonia Solution, Strong SCHEMBL21518155 0.85 TSHR (0.50) IDO1AGXTTAAR1ALDH1A1CYP1A2
SCHEMBL9504704 0.85 TSHR (0.50) IDO1AGXTTAAR1ALDH1A1CYP1A2
SCHEMBL649272 0.84 IDO1 (0.44) IDO1AGXTTAAR1
SCHEMBL12134094 0.83 ERN1 (0.40) IDO1AGXTPPARGPPARA
SCHEMBL21465397 0.83 TSHR (0.44) IDO1AGXTTAAR1ALDH1A1CYP1A2
SCHEMBL22474189 0.82 IDO1 (0.50) IDO1AGXTTAAR1PPARGPPARA
SCHEMBL13412797 0.82 AGXT (0.59) AGXTNAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771320-B2 Carbocyclic sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-9512426-B2 Method for rapidly evaluating performance of short interfering RNA with novel chemical modifications SIRNA THERAPEUTICS, INC. (US) 2016-12-06 US disclosed
US-20150132761-A1 METHOD FOR RAPIDLY EVALUATING PERFORMANCE OF SHORT INTERFERING RNA WITH NOVEL CHEMICAL MODIFICATIONS BANK OF AMERICA, N.A. 2015-05-14 US disclosed
US-8877439-B2 Method for rapidly evaluating performance of short interfering RNA with novel chemical modifications SIRNA THERAPEUTICS, INC. (US) 2014-11-04 US disclosed
US-20120252027-A1 Method For Rapidly Evaluating Performance Of Short Interfering RNA With Novel Chemical Modifications BANK OF AMERICA, N.A. 2012-10-04 US disclosed
US-7687459-B2 Arylalkoxyl hepatitis C virus protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-03-30 US disclosed
US-20090041721-A1 serine protease inhibitors; interferons ENANTA PHARMACEUTICALS, INC. 2009-02-12 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-20120252027-A1 Method For Rapidly Evaluating Performance Of Short Interfering RNA With Novel Chemical Modifications NSUN2, NSUN3, SNRPE IDO1 2887/4885AGXT 3081/4885TAAR1 3330/4885
US-20090041721-A1 serine protease inhibitors; interferons PRSS1, SERPINB1, SPINT2 IDO1 600/4885AGXT 743/4885TAAR1 4658/4885

“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.