SCHEMBL2962816

SCHEMBL2962816

CCCC1C=C(c2ccccc2)c2cc(Br)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.36
GABRA5 P31644 3/20 0.36
GABRA2 P47869 3/20 0.36
GABRB2 P47870 3/20 0.36
GABRA3 P34903 2/20 0.36
MAPK1 P28482 3/20 0.36
CYP1A2 P05177 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
MAPT P10636 2/20 0.33
EDNRB P24530 2/20 0.33
EDNRA P25101 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
BRD4 O60885 1/20 0.33
CCL2 P13500 1/20 0.33

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
SCHEMBL2973795 0.88 ALDH1A1 (0.32) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL2973762 0.76 MAPK1 (0.40) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL2962267 0.67 MAPK1 (0.38) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL2972933 0.67 SLC6A2 (0.35) MAPK1MAPTTP53ALDH1A1
SCHEMBL2959299 0.66 AKR1C3 (0.33) PTGDR2
SCHEMBL2968029 0.65 NPC1 (0.42) MAPK1MAPTKDM4ELMNATP53
SCHEMBL2965307 0.64 TP53 (0.33) MAPK1MAPTLMNATP53ALDH1A1
SCHEMBL2972658 0.64 CYP1A2 (0.35) MAPK1CYP1A2EDNRBEDNRACYP2C9
SCHEMBL2966197 0.63 ALDH1A1 (0.39) MAPK1CYP1A2MAPTEDNRBEDNRA
Hexane SCHEMBL27847065 0.62 CYP1A2 (0.47) GABRA1GABRA5GABRA3MAPK1CYP1A2

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 GABRA1 3234/4885GABRA5 2280/4885GABRA2 2929/4885

“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.