SCHEMBL2964750

SCHEMBL2964750

Cc1ccc2ccccc2c1[C]1C=Cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.46
▸ CYP1A2 P05177 4/20 0.46
▸ CYP2A6 P11509 3/20 0.46
▸ HSD11B1 P28845 1/20 0.42
▸ CES1 P23141 1/20 0.41
▸ DNMT1 P26358 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ MAPT P10636 2/20 0.38
▸ DHFR P00374 1/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HPGD P15428 3/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NSD2 O96028 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ HKDC1 Q2TB90 1/20 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
SCHEMBL5399444 0.85 ALDH1A1 (0.37) TSHRCYP1A2CYP2A6HSD11B1CES1
SCHEMBL2959116 0.81 CES1 (0.41) TSHRCYP1A2CYP2A6CES1DNMT1
SCHEMBL2971767 0.80 CYP1A2 (0.38) TSHRCYP1A2CYP2A6CES1DNMT1
SCHEMBL2967833 0.79 GPR84 (0.37) TSHRCYP1A2CYP2A6CES1DNMT1
SCHEMBL6650645 0.77 MYC (0.41) TSHRCYP1A2CYP2A6CES1ALDH1A1
SCHEMBL2951616 0.77 TSHR (0.65) TSHRCYP1A2CYP2A6HSD11B1DNMT1
SCHEMBL29352216 0.77 TSHR (0.65) TSHRCYP1A2CYP2A6HSD11B1DNMT1
SCHEMBL2958679 0.76 NCEH1 (0.36) CYP1A2CES1ALDH1A1TDP1HPGD
SCHEMBL2961485 0.76 DNMT1 (0.36) TSHRCYP1A2CYP2A6CES1DNMT1
SCHEMBL2557210 0.76 CYP2A6 (0.54) TSHRCYP1A2CYP2A6HSD11B1DNMT1

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 17 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-20040010102-A1 Bridged ylide group containning metal complexes ROBERT BOSCH GMBH (DE) 2004-01-15 — — 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
US-6870015-B2 Catalyst component for addition polymerization, process for producing catalyst for addition polymerization and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-03-22 — — US disclosed
EP-0749985-B1 Stereo rigid metallocene compounds TICONA GMBH (DE) 2004-09-22 — — EP disclosed
EP-1300425-A2 Catalyst component for addition polymerization, process for producing said catalyst and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-04-09 — — EP disclosed
US-20030060579-A1 Catalyst component for addition polymerization, process for producing catalyst for addition polymerization and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-27 — — US disclosed
US-6063949-A Stereorigid metallocene compound TARGOR GMBH (DE) 2000-05-16 — — US disclosed
EP-0749988-A2 Process for the preparation of cycloolefin copolymers HOECHST AKTIENGESELLSCHAFT (DE) 1996-12-27 — — EP disclosed
EP-0749985-A2 Stereo rigid metallocene compounds HOECHST AKTIENGESELLSCHAFT (DE) 1996-12-27 — — EP 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 TSHR 3182/4885CYP1A2 3980/4885CYP2A6 3966/4885
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 TSHR 551/4885CYP1A2 2409/4885CYP2A6 2465/4885
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization CCRL2, ARL1, OSBP2 TSHR 2600/4885CYP1A2 2280/4885CYP2A6 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.

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