SCHEMBL2971767

SCHEMBL2971767

Cc1cc2ccccc2c([C]2C=Cc3ccccc32)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.38
▸ CYP2A6 P11509 3/20 0.38
▸ TSHR P16473 3/20 0.35
▸ CES1 P23141 2/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ GPR84 Q9NQS5 1/20 0.34
▸ CCR1 P32246 1/20 0.33
▸ CCR8 P51685 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ACHE P22303 1/20 0.32
▸ REN P00797 1/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ RET P07949 1/20 0.31
▸ CHRM2 P08172 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
SCHEMBL2964750 0.80 TSHR (0.46) CYP1A2CYP2A6TSHRCES1ALDH1A1
SCHEMBL31001028 0.78 CYP1A2 (0.52) CYP1A2CYP2A6TSHRALDH1A1HPGD
SCHEMBL5399444 0.76 ALDH1A1 (0.37) CYP1A2CYP2A6TSHRCES1ALDH1A1
SCHEMBL2967088 0.76 CYP1A2 (0.35) CYP1A2TSHRCES1ALDH1A1HPGD
SCHEMBL5178631 0.76 ALDH1A1 (0.47) CYP1A2CYP2A6TSHRCES1ALDH1A1
SCHEMBL30509266 0.76 ALDH1A1 (0.47) CYP1A2CYP2A6TSHRCES1ALDH1A1
SCHEMBL5599461 0.74 CYP1A2 (0.38) CYP1A2CYP2A6TSHRALDH1A1HPGD
SCHEMBL2967060 0.74 GPR84 (0.44) CES1ALDH1A1HPGDGPR84L3MBTL1
SCHEMBL2959116 0.72 CES1 (0.41) CYP1A2CYP2A6TSHRCES1ALDH1A1
SCHEMBL14677000 0.72 CYP1A2 (0.45) CYP1A2CYP2A6TSHRALDH1A1HPGD

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 8 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-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 3980/4885CYP2A6 3966/4885TSHR 3182/4885
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 CYP1A2 2409/4885CYP2A6 2465/4885TSHR 551/4885
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization CCRL2, ARL1, OSBP2 CYP1A2 2280/4885CYP2A6 2558/4885TSHR 2600/4885

“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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