SCHEMBL3304592

SCHEMBL3304592

C[P@](c1ccccc1)c1ccccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.56
ESR2 Q92731 4/20 0.56
ALDH1A1 P00352 5/20 0.39
TDP1 Q9NUW8 4/20 0.39
CA2 P00918 4/20 0.39
HPGD P15428 3/20 0.39
CA12 O43570 3/20 0.39
CA4 P22748 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CYP3A4 P08684 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 2/20 0.39
CA3 P07451 2/20 0.39
NPC1 O15118 2/20 0.39
GMNN O75496 1/20 0.39
EGFR P00533 1/20 0.39
LMNA P02545 1/20 0.39
FYN P06241 1/20 0.39

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
SCHEMBL3301825 1.00 ESR1 (0.56) ESR1ESR2ALDH1A1TDP1CA2
SCHEMBL3303839 1.00 ESR1 (0.56) ESR1ESR2ALDH1A1TDP1CA2
SCHEMBL30504752 0.85 ALDH1A1 (0.47) ESR1ESR2ALDH1A1TDP1CA2
SCHEMBL5596220 0.85 ALDH1A1 (0.47) ESR1ESR2ALDH1A1TDP1CA2
SCHEMBL3962146 0.83 ESR1 (0.54) ESR1ESR2ALDH1A1TDP1CYP3A4
SCHEMBL5810167 0.83 ESR1 (0.54) ESR1ESR2ALDH1A1TDP1CYP3A4
SCHEMBL2551265 0.76 TDP1 (0.52) ESR1ESR2ALDH1A1TDP1CA2
SCHEMBL5596874 0.76 TDP1 (0.52) ESR1ESR2ALDH1A1TDP1CA2
SCHEMBL30759711 0.76 TDP1 (0.52) ESR1ESR2ALDH1A1TDP1CA2
SCHEMBL3632062 0.76 ESR1 (0.48) ESR1ESR2TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099875-A1 NEW ORTHO-FUNCTIONALIZED P-CHIRAL ARYLPHOSPHINES AND DERIVATIVES: THEIR PREPARATION AND USE IN ASYMMETRIC CATALYSIS PHOSPHOENIX SARL (FR) 2010-04-22 US disclosed
EP-1899358-A2 NOVEL P-CHIRAL FUNCTIONALISED ARYLPHOSPHINES AND DERIVATIVES, THE PREPARATION AND USE THEREOF FOR ASYMMETRICAL CATALYSIS Phosphoenix SARL (FR) 2008-03-19 EP disclosed
WO-2006136695-A2 NOVEL P-CHIRAL FUNCTIONALISED ARYLPHOSPHINES AND DERIVATIVES, THE PREPARATION AND USE THEREOF FOR ASYMMETRICAL CATALYSIS PHOSPHOENIX SARL (FR) 2006-12-28 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-20100099875-A1 NEW ORTHO-FUNCTIONALIZED P-CHIRAL ARYLPHOSPHINES AND DERIVATIVES: THEIR PREPARATION AND USE IN ASYMMETRIC CATALYSIS PNP, NANP, PHOSPHO1 ESR1 1016/4885ESR2 1023/4885ALDH1A1 834/4885

“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.