SCHEMBL2964197

SCHEMBL2964197

CCCC1=CCc2c1cc(Br)cc2-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
MAOB P27338 2/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 1/20 0.31
ADRB2 P07550 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL2967550 0.80 AKR1C3 (0.33) AKR1C3AKR1C2AKR1C1ADORA3ADORA2A
SCHEMBL2966230 0.76 AKR1C3 (0.39) AKR1C3AKR1C2AKR1C1PTGDR2MAOB
SCHEMBL2967616 0.75 ALDH1A1 (0.30) ALDH1A1MAPK1KDM4ENPC1MAPT
SCHEMBL2969344 0.75 HTR7 (0.34) ADORA3ADORA2AADORA1MAOBALDH1A1
SCHEMBL2967917 0.75 HTR7 (0.34) ADORA3ADORA2AADORA1MAOBALDH1A1
SCHEMBL2965655 0.75 ANPEP (0.34) ALDH1A1MAPK1ADRB2KDM4ENPC1
SCHEMBL2973721 0.75 KDM4E (0.33) ALDH1A1KDM4EHPGD
SCHEMBL2965142 0.71 AKR1C3 (0.33) AKR1C3AKR1C2AKR1C1ADORA3ADORA2A
SCHEMBL2962759 0.70 PIM1 (0.35) ALDH1A1
SCHEMBL2963718 0.70 HTR7 (0.45) HPGD

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 AKR1C3 3611/4885AKR1C2 3868/4885AKR1C1 4022/4885

“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.