SCHEMBL2972002

SCHEMBL2972002

Brc1ccc2c(c1-c1cccc3ccccc13)CC=C2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.33
GSK3B P49841 1/20 0.33
ADK P55263 1/20 0.33
TYMP P19971 1/20 0.33
CYP1A2 P05177 2/20 0.32
NISCH Q9Y2I1 1/20 0.32
DNMT1 P26358 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
BRD4 O60885 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CES1 P23141 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 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
SCHEMBL2973804 0.81 DHFR (0.36) DHFRGSK3BADKTYMPCYP1A2
SCHEMBL2971023 0.81 HTR1A (0.33) CYP1A2NISCHALDH1A1CYP2C9CYP2C19
SCHEMBL2973616 0.78 DHFR (0.36) DHFRGSK3BADKTYMPCYP1A2
SCHEMBL29767585 0.78 HTR7 (0.39) CYP1A2NISCHALDH1A1CYP2C9CYP2C19
SCHEMBL6930009 0.78 HTR7 (0.39) CYP1A2NISCHALDH1A1CYP2C9CYP2C19
SCHEMBL2971247 0.77 DHFR (0.33) DHFRGSK3BADKTYMPCYP1A2
SCHEMBL2962525 0.75 CA12 (0.37) CYP1A2NISCHALDH1A1CYP2C9CYP2C19
SCHEMBL2964525 0.75 DHFR (0.36) DHFRGSK3BADKTYMPCYP1A2
SCHEMBL2975183 0.75 DHFR (0.36) DHFRGSK3BADKTYMPCYP1A2
SCHEMBL2972198 0.75 CYP1A2 (0.36) CYP1A2NISCHDNMT1ALDH1A1CYP2C9

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 DHFR 3591/4885GSK3B 2287/4885ADK 3381/4885

“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.