SCHEMBL2961860

SCHEMBL2961860

CC1C=Cc2cc(Br)cc(-c3ccccc3)c21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
ESR2 Q92731 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
MAOB P27338 2/20 0.31
ALOX5 P09917 1/20 0.31
BACE1 P56817 1/20 0.31
TRPM2 O94759 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
SCHEMBL2970940 0.86 ALDH1A1 (0.32) ALDH1A1
SCHEMBL2970944 0.81 NPC1 (0.31)
SCHEMBL2971579 0.79 KDM4E (0.35) AKR1C3AKR1C2ALDH1A1ESR2MAOB
SCHEMBL2959299 0.78 AKR1C3 (0.33) AKR1C3AKR1C2AKR1C1PTGDR2
SCHEMBL2961203 0.78 NPC1 (0.37) ALDH1A1MAPK1
SCHEMBL2957310 0.76
SCHEMBL2972863 0.75 CRHBP (0.43) AKR1C3AKR1C2AKR1C1ALDH1A1MAPK1
SCHEMBL2975527 0.75 ALDH1A1 (0.34) ALDH1A1MAPK1
SCHEMBL2966051 0.74 AKR1C3 (0.37) AKR1C3AKR1C2AKR1C1ALDH1A1MAPK1
SCHEMBL2964210 0.73

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.