SCHEMBL2967090

SCHEMBL2967090

CC1=C(c2cccc3ccccc23)[CH]c2ccc(C)c(C)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.44
TSHR P16473 3/20 0.44
CYP2A6 P11509 2/20 0.44
ALDH1A1 P00352 3/20 0.39
DHFR P00374 1/20 0.37
KDM4E B2RXH2 4/20 0.35
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 1/20 0.35
BRD4 O60885 1/20 0.34
CHAT P28329 1/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 1/20 0.31
CASP1 P29466 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
SCHEMBL2971768 0.84 ALDH1A1 (0.46) CYP1A2TSHRCYP2A6ALDH1A1DHFR
SCHEMBL2963085 0.82 TDP2 (0.34) ATM
SCHEMBL218375 0.77 ALDH1A1 (0.42) CYP1A2TSHRCYP2A6ALDH1A1DHFR
SCHEMBL5185020 0.75 CYP2A6 (0.32) CYP1A2TSHRCYP2A6ALDH1A1DHFR
SCHEMBL2956832 0.75 TDP2 (0.41)
SCHEMBL2970264 0.74 CYP1A2 (0.31) CYP1A2TSHRCYP2A6ALDH1A1KDM4E
SCHEMBL5709171 0.71 DHFR (0.51) CYP1A2TSHRCYP2A6ALDH1A1DHFR
SCHEMBL6548329 0.69 CYP2A6 (0.60) CYP1A2TSHRCYP2A6ALDH1A1DHFR
SCHEMBL30159344 0.69 CYP2A6 (0.60) CYP1A2TSHRCYP2A6ALDH1A1DHFR
SCHEMBL2961487 0.69 ALDH1A1 (0.39) CYP1A2TSHRCYP2A6ALDH1A1DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
US-7763562-B2 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-07-27 US disclosed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
US-7214747-B2 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-08 US disclosed
US-7214746-B2 Phosphorus bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-08 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed
US-20050239981-A1 Phosphorus bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2005-10-27 US disclosed
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2005-10-27 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 (3 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-20050239981-A1 Phosphorus bridged metallocene compounds for olefin polymerization PYM1, ZNF207, POLL CYP1A2 3980/4885TSHR 3182/4885CYP2A6 3966/4885
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 CYP1A2 2409/4885TSHR 551/4885CYP2A6 2465/4885
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization CCRL2, ARL1, OSBP2 CYP1A2 2280/4885TSHR 2600/4885CYP2A6 2558/4885

“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.