SCHEMBL9950050

SCHEMBL9950050

CCCCCCCCCCC1CCCCC1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
CYP1A2 P05177 3/20 0.41
ALDH1A1 P00352 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
ALOX5 P09917 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
NAAA Q02083 2/20 0.35
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
EBP Q15125 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL8674473 1.00 EPHX1 (0.42) EPHX1CYP1A2ALDH1A1CHRNB2CHRNA7
SCHEMBL9949197 1.00 EPHX1 (0.42) EPHX1CYP1A2ALDH1A1CHRNB2CHRNA7
SCHEMBL9949257 1.00 EPHX1 (0.42) EPHX1CYP1A2ALDH1A1CHRNB2CHRNA7
SCHEMBL9949297 1.00 EPHX1 (0.42) EPHX1CYP1A2ALDH1A1CHRNB2CHRNA7
SCHEMBL8677457 0.98 CYP1A2 (0.43) EPHX1CYP1A2ALDH1A1CHRNB2CHRNA7
SCHEMBL19038314 0.96 EPHX1 (0.42) EPHX1CYP1A2ALDH1A1CHRNB2CHRNA7
SCHEMBL31453502 0.96 EPHX1 (0.42) EPHX1CYP1A2ALDH1A1CHRNB2CHRNA7
SCHEMBL11755314 0.96 EPHX1 (0.42) EPHX1CYP1A2ALDH1A1CHRNB2CHRNA7
Trimethylammonium SCHEMBL28900339 0.94 EPHX1 (0.42) EPHX1CYP1A2ALDH1A1CHRNB2CHRNA7
Trimethylammonium SCHEMBL28466936 0.94 EPHX1 (0.42) EPHX1CYP1A2ALDH1A1CHRNB2CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479159-A1 PREPARATION METHOD FOR COMPOUND PROVIDED WITH DOUBLE BOND Sumitomo Chemical Co., Ltd (JP) 2012-07-25 EP disclosed
US-20120165587-A1 Method for Producing a Compound with a Double Bond SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-28 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-20120165587-A1 Method for Producing a Compound with a Double Bond ADH1C, ADH1A, ADH5 EPHX1 1502/4885CYP1A2 98/4885ALDH1A1 110/4885

“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.