SCHEMBL2966446

SCHEMBL2966446

[C]1=C(c2ccc3ccc4cccc5ccc2c3c45)C=CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
HPGD P15428 5/20 0.39
HSD17B10 Q99714 4/20 0.39
CYP3A4 P08684 3/20 0.39
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 4/20 0.37
ERBB2 P04626 1/20 0.37
FYN P06241 1/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
AHR P35869 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
THRB P10828 1/20 0.35
KDM4E B2RXH2 4/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 3/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL219035 0.77 NISCH (0.38) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL2124728 0.73 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL29413360 0.73 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL29814212 0.73 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL2956150 0.69 ALDH1A1 (0.64) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL29512003 0.68 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL5334139 0.68 ALDH1A1 (0.56) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL2122937 0.68 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL29547734 0.68 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL11748643 0.66 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10CYP3A4TSHR

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 ALDH1A1 4206/4885HPGD 4608/4885HSD17B10 4696/4885
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 ALDH1A1 4332/4885HPGD 4720/4885HSD17B10 4474/4885
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization CCRL2, ARL1, OSBP2 ALDH1A1 4248/4885HPGD 4016/4885HSD17B10 3454/4885

“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.