SCHEMBL2963873

SCHEMBL2963873

CC1C=Cc2c1ccc(Br)c2-c1cccc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.35
GSK3B P49841 1/20 0.35
ADK P55263 1/20 0.35
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TYMP P19971 1/20 0.32
CYP1A2 P05177 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 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
SCHEMBL2973456 0.81 MAPT (0.33) DHFRNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL2971829 0.80 DHFR (0.35) DHFRGSK3BADKNPC1MAPT
SCHEMBL2970677 0.78 PBRM1 (0.30)
SCHEMBL2965212 0.78 CHRNA1 (0.36) NPC1MAPTRAB9ASMN1; SMN2CA12
SCHEMBL2974094 0.77 FABP4 (0.32) MAPTALDH1A1MAPK1
SCHEMBL2972117 0.77 CYP1A2 (0.34) DHFRNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL2970659 0.77 CYP1A2 (0.34) DHFRNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL5702772 0.76 ALDH1A1 (0.41) MAPTCYP1A2ALDH1A1MEN1LMNA
SCHEMBL2975307 0.76 TRPM2 (0.36) NPC1MAPTRAB9ASMN1; SMN2CYP1A2
SCHEMBL2971782 0.75 CYSLTR2 (0.31)

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 DHFR 3591/4885GSK3B 2287/4885ADK 3381/4885

“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.