SCHEMBL218375

SCHEMBL218375

CC1=C(c2cccc3ccccc23)[CH]c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
CYP2A6 P11509 3/20 0.42
DHFR P00374 1/20 0.39
HPGD P15428 4/20 0.38
HSD17B10 Q99714 4/20 0.38
TSHR P16473 3/20 0.38
CYP3A4 P08684 2/20 0.38
KEAP1 Q14145 1/20 0.38
KDM4E B2RXH2 5/20 0.37
ENPP3 O14638 1/20 0.37
ENPP1 P22413 1/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 1/20 0.36
PTPN1 P18031 1/20 0.35
ALPL P05186 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 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
SCHEMBL5399447 0.84 ALDH1A1 (0.35) ALDH1A1CYP2A6HPGDHSD17B10TSHR
SCHEMBL2971768 0.83 ALDH1A1 (0.46) ALDH1A1CYP2A6DHFRHPGDHSD17B10
SCHEMBL215411 0.77 CHRNB4 (0.37) ALDH1A1CYP2A6DHFRHPGDHSD17B10
SCHEMBL7107902 0.77 ENPP3 (0.35) ALDH1A1CYP2A6DHFRHPGDHSD17B10
SCHEMBL2967090 0.77 CYP1A2 (0.44) ALDH1A1CYP2A6DHFRHPGDHSD17B10
SCHEMBL2975633 0.76 TRPA1 (0.34) ALDH1A1CYP2A6TSHRCYP3A4CYP1A2
SCHEMBL216444 0.75 CNR1 (0.35) ALDH1A1CYP2A6HPGDHSD17B10TSHR
SCHEMBL714807 0.74 ALDH1A1 (0.42) ALDH1A1CYP2A6DHFRHPGDHSD17B10
SCHEMBL2964255 0.73 ACHE (0.38) ALDH1A1KDM4EGAATDP1
SCHEMBL2959609 0.73 HSD11B1 (0.38) GAA

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 60 patents — showing the first 20. 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-10421921-B2 Lubricants from mixed alpha-olefin feeds EXXONMOBIL CHEMICAL PATENTS INC. (US) 2019-09-24 US disclosed
EP-1920031-B1 LUBRICANTS FROM MIXED ALPHA-OLEFIN FEEDS EXXONMOBIL CHEMICAL PATENTS INC (US) 2018-01-10 EP disclosed
US-20170137737-A1 Lubricants from Mixed Alpha-Olefin Feeds EXXONMOBIL CHEMICAL PATENTS INC. 2017-05-18 US disclosed
US-9593288-B2 Lubricants from mixed alpha-olefin feeds EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-03-14 US disclosed
US-9409834-B2 Low viscosity poly-alpha-olefins EXXONMOBIL CHEMICAL PATENTS INC. (US) 2016-08-09 US disclosed
US-20150252279-A1 Lubricants From Mixed Alpha-Olefin Feeds EXXONMOBIL CHEMICAL PATENTS INC. 2015-09-10 US disclosed
US-8957159-B2 Multiple catalyst system for olefin polymerization and polymers produced therefrom EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-02-17 US disclosed
US-8921291-B2 Lubricants from mixed alpha-olefin feeds EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-12-30 US disclosed
US-20140378720-A1 Processes to Produce Polyalpha-Olefin Compositions EXXONMOBIL CHEMICAL PATENTS INC. 2014-12-25 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 ALDH1A1 4206/4885CYP2A6 3966/4885DHFR 3956/4885
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization CCRL2, ARL1, OSBP2 ALDH1A1 4248/4885CYP2A6 2558/4885DHFR 4401/4885
US-20140378720-A1 Processes to Produce Polyalpha-Olefin Compositions AP1M1, AP1S1, CCT4 ALDH1A1 3012/4885CYP2A6 1506/4885DHFR 4030/4885

“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.