SCHEMBL9853386

SCHEMBL9853386

CCc1cc(CC)cc(CN)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
ABAT P80404 1/20 0.39
PTGS2 P35354 1/20 0.39
LOXL2 Q9Y4K0 6/20 0.38
TP53 P04637 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
NOS3 P29474 3/20 0.36
NOS1 P29475 3/20 0.36
NOS2 P35228 3/20 0.36
PSIP1 O75475 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
TRPA1 O75762 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP3A4 P08684 1/20 0.34
NFKB1 P19838 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34

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
SCHEMBL9973082 1.00 TAAR1 (0.42) TAAR1ABATPTGS2LOXL2TP53
SCHEMBL16727658 0.92 RXRA (0.45) TAAR1ABATPTGS2LOXL2TP53
SCHEMBL27951798 0.92 TAAR1 (0.37) TAAR1ABATPTGS2LOXL2TP53
SCHEMBL19979027 0.89 LOXL2 (0.40) TAAR1ABATPTGS2LOXL2TP53
SCHEMBL13981840 0.89 PGK1 (0.37) TAAR1ABATPTGS2LOXL2NOS3
SCHEMBL18494541 0.87 IDO1 (0.41) TAAR1ABATPTGS2LOXL2NOS3
SCHEMBL27669043 0.87 LOXL2 (0.37) TAAR1ABATPTGS2LOXL2NOS3
SCHEMBL10666038 0.87 ABAT (0.48) TAAR1ABATPTGS2NOS3NOS1
SCHEMBL24422397 0.85 NOS1 (0.37) TAAR1ABATPTGS2LOXL2NOS3
SCHEMBL15249714 0.83 PLG (0.33) TAAR1ABATPTGS2LOXL2CSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130149931-A1 Multilayer Laminated Articles Including Poly(ureaurethane) Layers and Methods of Making the Same PPG INDUSTRIES OHIO, INC. (US) 2013-06-13 US claimed
US-11219588-B2 Use of polyamines in compositions and methods for inducing or promoting skin darkening and regulating melanogenesis AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2022-01-11 US disclosed
WO-2018127699-A1 COMPOUNDS FOR TREATING CANCER Bicyclerd Limited (GB) 2018-07-12 WO disclosed
EP-2651876-A1 POLYAMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS Sika Technology AG (CH) 2013-10-23 EP disclosed
WO-2012080265-A1 POLYAMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECHNOLOGY AG (CH) 2012-06-21 WO disclosed
US-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2011-10-06 US disclosed
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED 2008-07-24 US disclosed
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED 2008-07-24 US disclosed
EP-0417540-A2 Masses of reactive polyurethane adhesives comprising finely dispersed polymers BAYER AG (DE) 1991-03-20 EP disclosed
EP-0150803-A2 PVC-plastisols for coating applications containing adhesion improving additives and their use BAYER AG (DE) 1985-08-07 EP 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 (3 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-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK TAAR1 783/4885ABAT 372/4885PTGS2 1196/4885
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors PDE5A, PDE3B, PDE4A TAAR1 1517/4885ABAT 2578/4885PTGS2 484/4885
US-11219588-B2 Use of polyamines in compositions and methods for inducing or promoting skin darkening and regulating melanogenesis TYR, MITF, SRM TAAR1 1631/4885ABAT 580/4885PTGS2 2266/4885

“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.