SCHEMBL2970827

SCHEMBL2970827

CCC1=Cc2c(c(Br)cc3ccccc23)C1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
ALDH1A1 P00352 4/20 0.32
HIF1A Q16665 1/20 0.32
CYP1B1 Q16678 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 3/20 0.31
HTR6 P50406 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
ATM Q13315 1/20 0.31
GAA P10253 1/20 0.30
HPGD P15428 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
SCHEMBL2963421 0.88 ALDH1A1 (0.38) ALDH1A1HIF1ACYP1B1HSD17B10TSHR
SCHEMBL2968801 0.88 TSHR (0.35) HTR2AALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL2974976 0.80 ALDH1A1 (0.35) ALDH1A1HIF1ACYP1B1HSD17B10KDM4E
SCHEMBL2968810 0.77 ALDH1A1 (0.35) ALDH1A1HIF1ACYP1B1HSD17B10TSHR
SCHEMBL2970349 0.76 HTR6 (0.33) HTR2AALDH1A1KDM4EHTR6
SCHEMBL2962966 0.76 HTR2A (0.33) HTR2AALDH1A1TSHRKDM4EHTR6
SCHEMBL2970823 0.72
SCHEMBL7054232 0.71 KDM4E (0.45) HTR2AALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL2969628 0.68 GNG2 (0.32)
SCHEMBL2962336 0.67 ALDH1A1 (0.35) ALDH1A1HIF1ACYP1B1HSD17B10TSHR

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 HTR2A 2923/4885ALDH1A1 4332/4885HIF1A 4542/4885

“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.