SCHEMBL2974708

SCHEMBL2974708

CC1=C(c2ccc(C)cc2)c2cc(Br)ccc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
ALDH1A1 P00352 1/20 0.39
CHEK2 O96017 1/20 0.37
ROS1 P08922 1/20 0.37
MARK3 P27448 1/20 0.37
LTK P29376 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
MINK1 Q8N4C8 1/20 0.37
AURKB Q96GD4 1/20 0.37
PBK Q96KB5 1/20 0.37
STK17A Q9UEE5 1/20 0.37
MAP4K5 Q9Y4K4 1/20 0.37
TDP2 O95551 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
METAP1 P53582 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL2959837 0.90 ESR1 (0.48) ESR1ESR2ALDH1A1TDP2SMN1; SMN2
SCHEMBL16913152 0.87 ESR1 (0.43) ESR1ESR2CHEK2ROS1MARK3
SCHEMBL2970474 0.87 TDP1 (0.39) ESR1ESR2ALDH1A1CHEK2ROS1
SCHEMBL2957246 0.80 NPC1 (0.41) ESR1ESR2ALDH1A1CHEK2ROS1
SCHEMBL2963682 0.79 CHEK2 (0.36) ALDH1A1CHEK2ROS1MARK3LTK
SCHEMBL16913075 0.78 ESR1 (0.47) ESR1ESR2KDRTDP2SMN1; SMN2
SCHEMBL16913293 0.77 ESR1 (0.42) ESR1ESR2KDRTDP2SMN1; SMN2
SCHEMBL2959335 0.77 ESR1 (0.42) ESR1ESR2ALDH1A1TDP2METAP1
SCHEMBL22079199 0.74 CHEK2 (0.47) ALDH1A1CHEK2ROS1MARK3LTK
SCHEMBL2974433 0.74 CHEK2 (0.43) CHEK2ROS1MARK3LTKFLT4

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 ESR1 361/4885ESR2 790/4885ALDH1A1 4332/4885

“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.