SCHEMBL1041648

SCHEMBL1041648

Cc1cc(F)c(P(Br)Br)c(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CA2 P00918 1/20 0.42
POLB P06746 1/20 0.42
TYR P14679 1/20 0.42
HSPA5 P11021 1/20 0.35
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
HIF1A Q16665 2/20 0.34
CYP2D6 P10635 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL1040725 0.81 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL1042395 0.81 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL1041308 0.81 GABRA1 (0.31)
SCHEMBL1041797 0.74 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL24910870 0.73 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL17207221 0.73 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL1039864 0.71 CA2 (0.40) ALDH1A1CA2
SCHEMBL1042697 0.69 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL15726917 0.69 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1CA2POLBTYR
SCHEMBL27274680 0.69 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CA2POLBTYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915455-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-29 US disclosed
EP-2272852-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex Sumitomo Chemical Company, Limited (JP) 2011-01-12 EP disclosed
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED 2009-06-04 US disclosed
US-7482414-B2 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-27 US disclosed
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 US disclosed
EP-1683802-A1 TRANSITION METAL COMPLEX LIGAND AND OLEFIN POLYMERIZATION CATALYST CONTAINING TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2006-07-26 EP 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 (2 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-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 SMN1; SMN2 2171/4885ALDH1A1 4017/4885CA2 1200/4885
US-20090143620-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 SMN1; SMN2 2171/4885ALDH1A1 4017/4885CA2 1200/4885

“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.