SCHEMBL4924845

SCHEMBL4924845

CP(c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
ALDH1A1 P00352 5/20 0.41
CYP2A6 P11509 4/20 0.41
TSHR P16473 4/20 0.39
HSD17B10 Q99714 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 6/20 0.37
CYP3A4 P08684 3/20 0.37
HPGD P15428 3/20 0.37
KEAP1 Q14145 1/20 0.37
NR4A1 P22736 1/20 0.36
NR4A2 P43354 1/20 0.36
NR4A3 Q92570 1/20 0.36
HPRT1 P00492 1/20 0.36
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
CDC25B P30305 1/20 0.35
ATM Q13315 1/20 0.35
CYP2D6 P10635 2/20 0.34

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
SCHEMBL3792368 0.98 ALDH1A1 (0.42) ESR1ESR2ALDH1A1CYP2A6TSHR
SCHEMBL11747361 0.87 ALDH1A1 (0.48) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL2918270 0.80 MAPT (0.41) ESR1ESR2ALDH1A1CYP2A6TSHR
SCHEMBL5810167 0.79 ESR1 (0.54) ESR1ESR2ALDH1A1TSHRTDP1
SCHEMBL517685 0.79 ALDH1A1 (0.53) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL3962146 0.79 ESR1 (0.54) ESR1ESR2ALDH1A1TSHRTDP1
SCHEMBL7569519 0.78 CYP3A4 (0.48) ESR1ESR2ALDH1A1CYP2A6TSHR
SCHEMBL30170447 0.78 CYP3A4 (0.48) ESR1ESR2ALDH1A1CYP2A6TSHR
SCHEMBL133687 0.78 CYP3A4 (0.48) ESR1ESR2ALDH1A1CYP2A6TSHR
SCHEMBL132132 0.78 CYP3A4 (0.48) ESR1ESR2ALDH1A1CYP2A6TSHR

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2735581-B1 COMPOSITION AND POLYMER ASAHI CHEMICAL IND (JP) 2021-07-14 EP disclosed
US-9738757-B2 Composition and polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-08-22 US disclosed
US-20160222168-A1 Composition and Polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-08-04 US disclosed
US-9334371-B2 Composition and polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-05-10 US disclosed
EP-2735581-A1 COMPOSITION AND POLYMER Asahi Kasei Chemicals Corporation (JP) 2014-05-28 EP disclosed
US-20140121293-A1 Composition and Polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-05-01 US disclosed
US-8471067-B2 Stereoselective preparation of P-chiral four-co-ordinated phosphorus compound (o-Tolylphenylmethylphosphine oxide) by reacting chiral alcohol, chiral amine or chiral thiol, with P-chiral three-co-ordinated phosphorus compound, in presence of electrophile UNIVERSITY COLLEGE DUBLIN (IE) 2013-06-25 US disclosed
US-7704912-B2 Mixtures of chiral monophosphorus compounds used as ligand systems for asymmetric transition metal catalysis STUDIENGESELLSCHAFT KOHLE MBH (DE) 2010-04-27 US disclosed
US-7704912-B2 Mixtures of chiral monophosphorus compounds used as ligand systems for asymmetric transition metal catalysis STUDIENGESELLSCHAFT KOHLE MBH (DE) 2010-04-27 US disclosed
US-20080255391-A1 Chiral Phosphorus Compounds UNIVERSITY COLLEGE DUBLIN NATIONAL UNIVERSITY OF IRELAND (IE) 2008-10-16 US disclosed
US-7413818-B2 Light-emitting device CANON KABUSHIKI KAISHA (JP) 2008-08-19 US disclosed
US-7413818-B2 Light-emitting device CANON KABUSHIKI KAISHA (JP) 2008-08-19 US disclosed
EP-1751170-A1 CHIRAL PHOSPHORUS COMPOUNDS UNIVERSITY COLLEGE DUBLIN (IE) 2007-02-14 EP disclosed
WO-2005118603-A1 CHIRAL PHOSPHORUS COMPOUNDS UNIVERSITY COLLEGE DUBLIN (IE) 2005-12-15 WO 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 (1 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-20080255391-A1 Chiral Phosphorus Compounds PHOSPHO1, PNKP, PTMS ESR1 2438/4885ESR2 1489/4885ALDH1A1 612/4885

“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.