SCHEMBL2963720

SCHEMBL2963720

CC1=C(c2cccc3ccccc23)c2cccc(Br)c2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
CYP2A6 P11509 1/20 0.36
DHFR P00374 1/20 0.35
BRD4 O60885 1/20 0.35
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 0.33
NISCH Q9Y2I1 1/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
SLC6A3 Q01959 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
SCHEMBL2963223 0.79 DHFR (0.36) ALDH1A1CYP2A6DHFRBRD4KDM4E
SCHEMBL2972021 0.79 ALDH1A1 (0.44) ALDH1A1HPGDLMNAHSD17B10CDK5
SCHEMBL2973423 0.78 ALDH1A1 (0.36) ALDH1A1MAOAMAOBCDK5PIM1
SCHEMBL2970226 0.75 TDP1 (0.38) ALDH1A1CYP2A6DHFRKDM4ECA1
SCHEMBL2964720 0.75 CA1 (0.43) ALDH1A1CYP2A6DHFRCA12CA1
SCHEMBL2969601 0.74 NPC1 (0.40) ALDH1A1KDM4EHPGDHSD17B10CDK5
SCHEMBL2971538 0.73 BCHE (0.33)
SCHEMBL2973226 0.72 PIM1 (0.40) ALDH1A1MAOAMAOBCA1CA2
SCHEMBL2966003 0.72 PIM1 (0.33) ALDH1A1MAOAMAOBCDK5PIM1
SCHEMBL29634644 0.69 ALDH1A1 (0.46) ALDH1A1CYP2A6KDM4EHPGDMAOA

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-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
WO-2006065809-A2 HETEROATOM BRIDGED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 WO 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 ALDH1A1 4332/4885CYP2A6 2465/4885DHFR 3591/4885

“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.