SCHEMBL2963331

SCHEMBL2963331

CCCC1=Cc2ccc(Br)c(-c3ccccc3)c2C1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL2962017 0.77 PTGS1 (0.32) ALDH1A1
SCHEMBL2972477 0.77 KDM4E (0.30) KDM4ENPC1ALDH1A1MAPTPKM
SCHEMBL2967415 0.75 TRPA1 (0.36) ALDH1A1
SCHEMBL6230549 0.75 HTR1A (0.37)
SCHEMBL2974698 0.74 ANPEP (0.36) KDM4ENPC1ALDH1A1MAPTPKM
SCHEMBL2965142 0.73 AKR1C3 (0.33)
SCHEMBL2965566 0.71 KDM4E (0.33) KDM4EALDH1A1HPGD
SCHEMBL2960708 0.70 ALDH1A1 (0.33) ALDH1A1
SCHEMBL2971607 0.70 ALDH1A1 (0.33) ALDH1A1
SCHEMBL2967616 0.69 ALDH1A1 (0.30) KDM4ENPC1ALDH1A1MAPTPKM

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 KDM4E 2177/4885NPC1 4083/4885ALDH1A1 4332/4885

“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.