SCHEMBL2975438

SCHEMBL2975438

CC1C(c2ccccc2)=Cc2ccc(Br)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
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
CYP19A1 P11511 1/20 0.33
NPC1 O15118 2/20 0.32
TSHR P16473 2/20 0.32
RAB9A P51151 2/20 0.32
DCLK1 O15075 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
CHEK2 O96017 1/20 0.32
CSF1R P07333 1/20 0.32
FER P16591 1/20 0.32
CDK2 P24941 1/20 0.32
MARK3 P27448 1/20 0.32
FLT4 P35916 1/20 0.32

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
SCHEMBL2963789 0.87 MAPK1 (0.36) ALDH1A1MAPK1GABRA1GABRA5GABRA3
SCHEMBL2958740 0.85 ALDH1A1 (0.38) ALDH1A1NPC1RAB9AHTR2AHTR2C
SCHEMBL4384850 0.78 DRD2 (0.38) ALDH1A1CYP19A1
SCHEMBL2965307 0.77 TP53 (0.33) ALDH1A1MAPK1HTR2AHTR2CTP53
SCHEMBL2969380 0.77 NPC1 (0.41) ALDH1A1MAPK1NPC1TSHRRAB9A
SCHEMBL2960245 0.76 CYP1A2 (0.34) ALDH1A1MAPK1NPC1TSHRCYP2A6
Hydrochloric Acid SCHEMBL17836078 0.75 CYP11B1 (0.40) CYP19A1
SCHEMBL2964989 0.74 RAPGEF4 (0.33) ALDH1A1
SCHEMBL2972913 0.74 MAPK1 (0.32) ALDH1A1MAPK1TP53
SCHEMBL2971196 0.73 HTR2A (0.35) ALDH1A1MAPK1HTR2AHTR2CHTR2B

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 ALDH1A1 4332/4885MAPK1 3118/4885GABRA1 3234/4885

“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.