SCHEMBL1277008

SCHEMBL1277008

CC1=C(C)C(Cl)(CCC2(Cl)C(C)=C(C)c3ccccc32)c2ccccc21.[Zr]

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.33
APEX1 P27695 1/20 0.31
KCNQ2 O43526 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
SCHEMBL8673808 0.96 S100A4 (0.33) S100A4APEX1KCNQ2
SCHEMBL5343309 0.89 S100A4 (0.33) S100A4KCNQ2
SCHEMBL6047509 0.79 PDCD1 (0.36)
SCHEMBL14775247 0.74 CYP1A2 (0.38)
SCHEMBL27629872 0.74 S100A4 (0.50) S100A4
Hydrochloric Acid SCHEMBL648714 0.71 KDM4E (0.32)
SCHEMBL3354011 0.69 S100A4 (0.33) S100A4
SCHEMBL648713 0.69
SCHEMBL4275883 0.69 S100A4 (0.33) S100A4
SCHEMBL4655424 0.69 PGR (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130225892-A1 PROCESS FOR PRODUCING UNSATURATED HYDROCARBON COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2013-08-29 US disclosed
US-20120088946-A1 PROCESS FOR PRODUCING UNSATURATED HYDROCARBON COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2012-04-12 US disclosed
US-20090069614-A1 METHOD FOR PRODUCING UNSATURATED HYDROCARBON COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2009-03-12 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 (3 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-20090069614-A1 METHOD FOR PRODUCING UNSATURATED HYDROCARBON COMPOUND AHR, ALOX12, ARNT S100A4 3743/4885APEX1 136/4885KCNQ2 4240/4885
US-20120088946-A1 PROCESS FOR PRODUCING UNSATURATED HYDROCARBON COMPOUND ALOX12, ALOX15B, ALOX15 S100A4 4468/4885APEX1 602/4885KCNQ2 3313/4885
US-20130225892-A1 PROCESS FOR PRODUCING UNSATURATED HYDROCARBON COMPOUND ALOX12, ALOX15B, ALOX15 S100A4 4468/4885APEX1 602/4885KCNQ2 3313/4885

“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.