SCHEMBL3787100

SCHEMBL3787100

CP(=O)(c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.48
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
ACP3 P15309 3/20 0.43
PLK1 P53350 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
PTK2B Q14289 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA2 P00918 2/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 2/20 0.41
CYP1A2 P05177 2/20 0.41
RAB9A P51151 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL19743195 0.90 KDM4E (0.46) NR4A1NR4A2NR4A3ACP3PLK1
SCHEMBL19767973 0.84 CMA1 (0.43) ESR1ACP3PLK1KDM4ELMNA
SCHEMBL14375087 0.84 KDM4E (0.41) ESR1NR4A1NR4A2NR4A3ACP3
SCHEMBL3821776 0.82 ACP3 (0.46) NR4A1NR4A2NR4A3ACP3PLK1
SCHEMBL31212642 0.82 KDM4E (0.47) NR4A1NR4A2NR4A3ACP3KDM4E
SCHEMBL11451532 0.82 KDM4E (0.47) NR4A1NR4A2NR4A3ACP3KDM4E
SCHEMBL29644308 0.82 POLB (0.47) NR4A1NR4A2NR4A3ACP3KDM4E
SCHEMBL457045 0.82 ACP3 (0.48) NR4A1NR4A2NR4A3ACP3PLK1
SCHEMBL9422307 0.82 POLB (0.47) NR4A1NR4A2NR4A3ACP3KDM4E
SCHEMBL26023414 0.81 KDM4E (0.46) NR4A1NR4A2NR4A3ACP3PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010004278-A1 METHOD FOR INCREASING THE ENANTIOMERIC EXCESS OF CHIRAL PHOSPHINE OXIDES, SULPHIDES, IMIDES AND BORANES CELTIC CATALYSTS LIMITED (IE) 2010-01-14 WO claimed
US-20160218301-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME LG CHEM, LTD. (KR) 2016-07-28 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
WO-2010004278-A1 METHOD FOR INCREASING THE ENANTIOMERIC EXCESS OF CHIRAL PHOSPHINE OXIDES, SULPHIDES, IMIDES AND BORANES CELTIC CATALYSTS LIMITED (IE) 2010-01-14 WO disclosed
US-20080255391-A1 Chiral Phosphorus Compounds UNIVERSITY COLLEGE DUBLIN NATIONAL UNIVERSITY OF IRELAND (IE) 2008-10-16 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 (2 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 2438/4885NR4A1 771/4885NR4A2 1006/4885
US-20160218301-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME CRY1, CRY2, NR2E3 ESR1 19/4885NR4A1 315/4885NR4A2 133/4885

“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.