SCHEMBL2968801

SCHEMBL2968801

CCC1=Cc2c(Br)cc3ccccc3c2C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
HTR2A P28223 1/20 0.33
HIF1A Q16665 1/20 0.32
CYP1B1 Q16678 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTR6 P50406 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 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
SCHEMBL2968810 0.88 ALDH1A1 (0.35) TSHRALDH1A1KDM4EATMHIF1A
SCHEMBL2970827 0.88 HTR2A (0.33) TSHRALDH1A1KDM4EATMHTR2A
SCHEMBL2962336 0.80 ALDH1A1 (0.35) TSHRALDH1A1KDM4EATMHIF1A
SCHEMBL2963421 0.77 ALDH1A1 (0.38) TSHRALDH1A1KDM4EATMHIF1A
SCHEMBL2970349 0.76 HTR6 (0.33) ALDH1A1KDM4EHTR2AHTR6
SCHEMBL2962966 0.76 HTR2A (0.33) TSHRALDH1A1KDM4EATMHTR2A
SCHEMBL2968374 0.72 KDM4E (0.32) ALDH1A1KDM4E
SCHEMBL2970823 0.72
SCHEMBL7054232 0.68 KDM4E (0.45) TSHRALDH1A1KDM4EATMHTR2A
SCHEMBL2972651 0.68 GNG2 (0.32)

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 TSHR 551/4885ALDH1A1 4332/4885KDM4E 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.