SCHEMBL2967088

SCHEMBL2967088

Cc1c(C)c([C]2C=Cc3ccccc32)c2ccccc2c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.35
▸ CYP2D6 P10635 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ SETD7 Q8WTS6 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ CHRM2 P08172 2/20 0.35
▸ HTR1A P08908 2/20 0.35
▸ CHRM1 P11229 2/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ ADRA2C P18825 2/20 0.35
▸ CHRM3 P20309 2/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ ADRA1A P35348 2/20 0.35
▸ HRH1 P35367 2/20 0.35
▸ DRD3 P35462 2/20 0.35

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
SCHEMBL2971767 0.76 CYP1A2 (0.38) CYP1A2CYP2D6ALDH1A1HSD17B10TP53
SCHEMBL6650645 0.72 MYC (0.41) CYP1A2CYP2D6ALDH1A1HSD17B10SETD7
SCHEMBL5921807 0.72 LMNA (0.50) CYP1A2CYP2D6ALDH1A1HSD17B10SETD7
SCHEMBL18317222 0.72 KDM4E (0.31) CYP1A2ALDH1A1HSD17B10LMNAMEN1
SCHEMBL2964750 0.71 TSHR (0.46) CYP1A2CYP2D6ALDH1A1HSD17B10TP53
SCHEMBL357443 0.69 CYP1A2 (0.53) CYP1A2CYP2D6ALDH1A1HSD17B10TP53
SCHEMBL29660297 0.69 CYP1A2 (0.53) CYP1A2CYP2D6ALDH1A1HSD17B10TP53
SCHEMBL4269721 0.69 PDK2 (0.39) CYP1A2CYP2D6ALDH1A1HSD17B10SETD7
SCHEMBL2971997 0.68 LMNA (0.39) CYP1A2CYP2D6ALDH1A1HSD17B10SETD7
SCHEMBL216367 0.67 ALDH1A1 (0.41) CYP1A2CYP2D6ALDH1A1HSD17B10SETD7

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 3980/4885CYP2D6 4253/4885ALDH1A1 4206/4885
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 CYP1A2 2409/4885CYP2D6 2519/4885ALDH1A1 4332/4885
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization CCRL2, ARL1, OSBP2 CYP1A2 2280/4885CYP2D6 3526/4885ALDH1A1 4248/4885

“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.

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