SCHEMBL9893522

SCHEMBL9893522

C=C(C)C(=O)OC12CCCCC1CCCC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 2/20 0.31
ABCB11 O95342 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CHRM3 P20309 1/20 0.31
DRD1 P21728 1/20 0.31
HRH2 P25021 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SCN1A P35498 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
SCHEMBL954627 1.00 ALDH1A1 (0.34) ALDH1A1CYP3A4ABCB11LMNACYP1A2
SCHEMBL4824444 0.98 CYP3A4 (0.33) ALDH1A1CYP3A4ABCB11LMNACYP1A2
SCHEMBL4856836 0.98 CYP3A4 (0.33) ALDH1A1CYP3A4ABCB11LMNACYP1A2
SCHEMBL10417245 0.98 CYP3A4 (0.33) ALDH1A1CYP3A4ABCB11LMNACYP1A2
SCHEMBL7920362 0.98 ALDH1A1 (0.33) ALDH1A1CYP3A4ABCB11LMNACYP1A2
SCHEMBL23494272 0.95 ALDH1A1 (0.35) ALDH1A1
SCHEMBL21027180 0.95 ALDH1A1 (0.35) ALDH1A1
SCHEMBL18068623 0.90 ALDH1A1 (0.31) ALDH1A1
SCHEMBL18068624 0.89 CYP3A4 (0.31) CYP3A4ABCB11LMNACYP1A2CHRM2
SCHEMBL18068626 0.89 CYP3A4 (0.31) CYP3A4ABCB11LMNACYP1A2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895223-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2014-11-25 US disclosed
US-8889336-B2 Radiation-sensitive resin composition and radiation-sensitive acid generating agent JSR CORPORATION (JP) 2014-11-18 US disclosed
US-8697335-B2 Radiation-sensitive resin composition and compound JSR CORPORATION (JP) 2014-04-15 US disclosed
US-8609321-B2 Radiation-sensitive resin composition, polymer and compound JSP CORPORATION (JP) 2013-12-17 US disclosed
US-20130260316-A1 RADIATION-SENSITIVE RESIN COMPOSITION AND RADIATION-SENSITIVE ACID GENERATING AGENT JSR CORPORATION (JP) 2013-10-03 US disclosed
US-20130189621-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER AND COMPOUND JSR CORPORATION (JP) 2013-07-25 US disclosed
US-20120219903-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2012-08-30 US disclosed
US-20120148952-A1 RADIATION-SENSITIVE RESIN COMPOSITION AND COMPOUND JSR CORPORATION (JP) 2012-06-14 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-20120148952-A1 RADIATION-SENSITIVE RESIN COMPOSITION AND COMPOUND RAD1, RER1, RPA1 ALDH1A1 806/4885CYP3A4 2993/4885ABCB11 2620/4885

“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.