SCHEMBL9949528

SCHEMBL9949528

[CH2]C1CCCCC1CCCC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
DPP4 P27487 1/20 0.39
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
CHRNB2 P17787 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
SIGMAR1 Q99720 2/20 0.31
EPHX1 P07099 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL9949104 0.93 CYP1A2 (0.41) CYP1A2CA1CA2CA4DPP4
SCHEMBL9949295 0.91 EPHX1 (0.41) CYP1A2CA1CA2CA4DPP4
SCHEMBL9950048 0.91 EPHX1 (0.41) CYP1A2CA1CA2CA4DPP4
SCHEMBL9949253 0.91 EPHX1 (0.41) CYP1A2CA1CA2CA4DPP4
SCHEMBL9949194 0.91 EPHX1 (0.41) CYP1A2CA1CA2CA4DPP4
SCHEMBL9949682 0.86 CA1 (0.54) CYP1A2CA1CA2CA4NOS1
SCHEMBL1646032 0.85 CYP1A2 (0.35) CYP1A2DPP4EPHX1
SCHEMBL28286303 0.83 CYP1A2 (0.59) CYP1A2CA1CA2CA4DPP4
SCHEMBL7751399 0.81 EPHX1 (0.36) CYP1A2CHRNB2CHRNA7CHRNA4EPHX1
SCHEMBL8855073 0.81 EPHX1 (0.36) CYP1A2CHRNB2CHRNA7CHRNA4EPHX1

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 CYP1A2 98/4885CA1 1145/4885CA2 2748/4885

“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.