SCHEMBL2973804

SCHEMBL2973804

Cc1c(Br)cc2c(c1-c1cccc3ccccc13)CC=C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.36
BRD4 O60885 1/20 0.33
KDM4E B2RXH2 5/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
FPR1 P21462 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CYP3A4 P08684 1/20 0.32
CRHR1 P34998 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP2A6 P11509 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
SCHEMBL2973616 0.84 DHFR (0.36) DHFRBRD4KDM4ECYP1A2CYP2C19
SCHEMBL2974799 0.83 ALDH1A1 (0.32) ALDH1A1MAOAMAOB
SCHEMBL2958363 0.82
SCHEMBL2964525 0.82 DHFR (0.36) DHFRBRD4KDM4ECYP1A2CYP2C19
SCHEMBL2972002 0.81 DHFR (0.33) DHFRBRD4CYP1A2CYP2C19CYP2C9
SCHEMBL2962673 0.77 PTGS1 (0.33)
SCHEMBL2974077 0.77 CA12 (0.34) DHFRBRD4KDM4ECYP1A2CYP2C19
SCHEMBL2962525 0.77 CA12 (0.37) KDM4ECYP1A2CYP2C19CYP2C9CA12
SCHEMBL2975183 0.76 DHFR (0.36) DHFRBRD4KDM4ECYP1A2CYP2C19
SCHEMBL2959810 0.76 DHFR (0.36) DHFRBRD4KDM4ECYP1A2CYP2C19

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
US-7763562-B2 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-07-27 US disclosed
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 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-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 DHFR 3591/4885BRD4 1004/4885KDM4E 2177/4885

“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.