SCHEMBL2970474

SCHEMBL2970474

CC1=C(c2ccccc2)c2cc(Br)ccc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 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
GABRA1 P14867 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL2959335 0.90 ESR1 (0.42) TDP1L3MBTL1ESR1ESR2GABRA1
SCHEMBL2974708 0.87 ESR1 (0.44) TDP1L3MBTL1ESR1ESR2CHEK2
SCHEMBL16913152 0.84 ESR1 (0.43) TDP1L3MBTL1ESR1ESR2CHEK2
SCHEMBL11546612 0.78 MAOA (0.40) ESR1ESR2KDRALDH1A1TSHR
SCHEMBL2972411 0.77 TDP1 (0.35) TDP1L3MBTL1ESR1ESR2CHEK2
SCHEMBL2970226 0.77 TDP1 (0.38) TDP1L3MBTL1CHEK2ROS1MARK3
SCHEMBL2957246 0.77 NPC1 (0.41) L3MBTL1ESR1ESR2CHEK2ROS1
SCHEMBL2959837 0.77 ESR1 (0.48) ESR1ESR2ALDH1A1CA1CA2
SCHEMBL2972164 0.76 TDP1 (0.36) TDP1L3MBTL1CHEK2ROS1MARK3
SCHEMBL26758511 0.76 GRIA2 (0.42) L3MBTL1ALDH1A1MAPK1NPC1TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230349907-A1 BIOPROBES FOR LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2023-11-02 US disclosed
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 (2 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-20230349907-A1 BIOPROBES FOR LYSYL OXIDASES AND USES THEREOF MAOB, LOX, LPO TDP1 587/4885L3MBTL1 589/4885ESR1 3997/4885
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 TDP1 4183/4885L3MBTL1 258/4885ESR1 361/4885

“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.