SCHEMBL9950048

SCHEMBL9950048

[CH2]C1CCCCC1CCCCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
CYP1A2 P05177 3/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
SIGMAR1 Q99720 2/20 0.36
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
NAAA Q02083 3/20 0.34
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33
DPP4 P27487 1/20 0.33

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
SCHEMBL9949253 1.00 EPHX1 (0.41) EPHX1CYP1A2CHRNB2CHRNA7CHRNA4
SCHEMBL9949295 1.00 EPHX1 (0.41) EPHX1CYP1A2CHRNB2CHRNA7CHRNA4
SCHEMBL9949194 1.00 EPHX1 (0.41) EPHX1CYP1A2CHRNB2CHRNA7CHRNA4
SCHEMBL9949104 0.98 CYP1A2 (0.41) EPHX1CYP1A2CHRNB2CHRNA7CHRNA4
SCHEMBL9949528 0.91 CYP1A2 (0.48) EPHX1CYP1A2CHRNB2CHRNA7CHRNA4
SCHEMBL8855073 0.89 EPHX1 (0.36) EPHX1CYP1A2CHRNB2CHRNA7CHRNA4
SCHEMBL7751399 0.89 EPHX1 (0.36) EPHX1CYP1A2CHRNB2CHRNA7CHRNA4
SCHEMBL1646032 0.85 CYP1A2 (0.35) EPHX1CYP1A2ALOX5ALDH1A1DPP4
SCHEMBL4004983 0.84 EPHX1 (0.48) EPHX1CYP1A2CHRNB2CHRNA7CHRNA4
SCHEMBL28358906 0.84 EPHX1 (0.48) EPHX1CYP1A2CHRNB2CHRNA7CHRNA4

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 98/4885CHRNB2 4191/4885

“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.