SCHEMBL2965002

SCHEMBL2965002

CC1=C(C)c2c(Cl)cccc2[CH]1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 6/20 0.36
ALDH1A1 P00352 2/20 0.35
CES1 P23141 1/20 0.34
GRIA1 P42261 2/20 0.33
CACNG8 Q8WXS5 2/20 0.33
PARP1 P09874 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
RET P07949 1/20 0.32
GRK5 P34947 1/20 0.32
TYRO3 Q06418 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.32
SRC P12931 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL218448 0.77 CYP2A6 (0.36) ALDH1A1GRIA1CACNG8CYP1A2CYP2A6
SCHEMBL2974314 0.75 CYP2A6 (0.36) ALDH1A1CYP2A6LMNATSHRSRC
SCHEMBL2962654 0.74 ALDH1A1 (0.36) PBRM1ALDH1A1PARP1
SCHEMBL5691260 0.69 ADORA3 (0.38) ALDH1A1TSHR
SCHEMBL5600529 0.69 PDCD1 (0.39) ALDH1A1CYP2A6LMNA
SCHEMBL11528492 0.67 CYP2A6 (0.39) ALDH1A1CYP1A2CYP2A6LMNATSHR
SCHEMBL2471569 0.66 TSHR (0.57) ALDH1A1CES1CYP1A2CYP2A6RET
SCHEMBL1047283 0.65 PBRM1 (0.42) PBRM1ALDH1A1CES1GRIA1CACNG8
SCHEMBL2970809 0.64
SCHEMBL23271726 0.64 NSD2 (0.47) CES1CYP1A2

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 PBRM1 618/4885ALDH1A1 4332/4885CES1 4655/4885

“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.