SCHEMBL85763

SCHEMBL85763

CC(C)(C)C(C)(C)c1nccs1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
NOS1 P29475 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FBP1 P09467 2/20 0.36
PDK1 Q15118 1/20 0.36
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
CYP2A6 P11509 1/20 0.31
PDPK1 O15530 1/20 0.31
ALOX5 P09917 1/20 0.31
AR P10275 1/20 0.31
HTR7 P34969 1/20 0.31
NPC1 O15118 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL684232 0.80
SCHEMBL14152670 0.78
SCHEMBL9372859 0.78
SCHEMBL16230730 0.77 AR (0.43) ALDH1A1TSHRNOS1HSD17B10FBP1
SCHEMBL30756417 0.76
SCHEMBL1566173 0.76
SCHEMBL21169264 0.76
SCHEMBL20921140 0.76
Hydrochloric Acid SCHEMBL14889613 0.76 ALDH1A1 (0.44) ALDH1A1TSHRNOS1HSD17B10FBP1
SCHEMBL8682794 0.76 ALDH1A1 (0.40) ALDH1A1TSHRNOS1HSD17B10FBP1

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
CN-106565563-A Dimethyl cysteamine hydrochloride synthetic process 杭州扬帆化工科技有限公司 2017-04-19 CN disclosed
US-8129389-B2 Substituted oxindole derivatives, medicaments containing the latter and use thereof ABBOTT GMBH & CO. KG (DE) 2012-03-06 US disclosed
US-20090186904-A1 Substituted Oxindole Derivatives, Medicaments Containing the Latter and Use Thereof ABBOTT GMBH & CO. KG 2009-07-23 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 (1 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-20090186904-A1 Substituted Oxindole Derivatives, Medicaments Containing the Latter and Use Thereof OXTR, AVPR2, AVPR1B ALDH1A1 1261/4885TSHR 211/4885NOS1 314/4885

“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.