SCHEMBL1753651

SCHEMBL1753651

COC(C)c1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.59
AOC3 Q16853 2/20 0.56
CYP1A2 P05177 2/20 0.48
CYP2A6 P11509 1/20 0.48
CYP2D6 P10635 3/20 0.47
CYP3A4 P08684 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KCNH2 Q12809 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.46
HIF1A Q16665 1/20 0.46
ATM Q13315 1/20 0.46
ADRA2A P08913 2/20 0.45
ADRA2B P18089 2/20 0.45
ADRA2C P18825 2/20 0.45
MMP9 P14780 1/20 0.44

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
SCHEMBL17789901 0.86 UGT2B7 (0.53) UGT2B7AOC3CYP1A2CYP2A6CYP2D6
SCHEMBL11672373 0.85 UGT2B7 (0.61) UGT2B7AOC3CYP1A2CYP2A6CYP2D6
SCHEMBL2956980 0.85 UGT2B7 (0.61) UGT2B7AOC3CYP1A2CYP2A6CYP2D6
SCHEMBL7055482 0.85 UGT2B7 (0.61) UGT2B7AOC3CYP1A2CYP2A6CYP2D6
SCHEMBL16261125 0.82 ABCB11 (0.61) CYP1A2CYP2A6TSHR
SCHEMBL18910983 0.82 CYP2A6 (0.52) UGT2B7AOC3CYP1A2CYP2A6TSHR
SCHEMBL19354578 0.81 UGT2B7 (0.52) UGT2B7AOC3CYP1A2CYP2D6CYP3A4
SCHEMBL4411103 0.81 UGT2B7 (0.55) UGT2B7AOC3CYP1A2CYP2A6CYP2D6
SCHEMBL18905261 0.80 CYP11B1 (0.39) UGT2B7AOC3CYP1A2CYP2D6CYP3A4
Naphthalene SCHEMBL9636781 0.80 UGT2B7 (0.71) UGT2B7AOC3CYP1A2CYP2A6CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10191372-B2 Polymer, positive resist composition, and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-01-29 US disclosed
US-20170343898-A1 POLYMER, POSITIVE RESIST COMPOSITION, AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-11-30 US disclosed
US-20170343898-A1 POLYMER, POSITIVE RESIST COMPOSITION, AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-11-30 US disclosed
US-8158643-B2 Substituted diaza-spiro-pyridinone derivatives for use in MCH-1 mediated diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 US disclosed
US-20100035909-A1 NOVEL SUBSTITUTED DIAZA-SPIRO-PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-11 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-20100035909-A1 NOVEL SUBSTITUTED DIAZA-SPIRO-PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES MCHR1, MCHR2, MC1R UGT2B7 2463/4885AOC3 323/4885CYP1A2 1324/4885

“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.