SCHEMBL974032

SCHEMBL974032

B.Oc1ccc(P(c2ccccc2)c2ccc3cccc4c5cccc6cccc(c2c34)c65)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.47
ESR2 Q92731 5/20 0.47
CYP1A2 P05177 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 3/20 0.42
THRB P10828 2/20 0.42
HPGD P15428 2/20 0.42
ERBB2 P04626 1/20 0.39
FYN P06241 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
AHR P35869 1/20 0.39
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HSP90AA1 P07900 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL971042 0.85 ESR1 (0.50) ESR1ESR2CYP1A2ALDH1A1HSD17B10
SCHEMBL12947703 0.84 ESR1 (0.52) ESR1ESR2CYP1A2ALDH1A1HSD17B10
SCHEMBL21370813 0.83 ALDH1A1 (0.56) ESR1ESR2CYP1A2ALDH1A1HSD17B10
SCHEMBL28110227 0.75 ALDH1A1 (0.43) ESR1ESR2CYP1A2ALDH1A1HSD17B10
SCHEMBL3831426 0.73 ESR1 (0.52) ESR1ESR2CYP1A2ALDH1A1HSD17B10
SCHEMBL29948725 0.73 CYP1A2 (0.46) ESR1ESR2CYP1A2ALDH1A1HSD17B10
SCHEMBL971382 0.73 CYP1A2 (0.46) ESR1ESR2CYP1A2ALDH1A1HSD17B10
Benzo[E]Pyrene SCHEMBL28940487 0.72 CYP1A2 (0.73) CYP1A2ALDH1A1HSD17B10THRBHPGD
Phenol SCHEMBL11553889 0.72 ALDH1A1 (0.56) CYP1A2ALDH1A1HSD17B10THRBHPGD
SCHEMBL30070892 0.70 CYP1A2 (0.52) CYP1A2ALDH1A1HSD17B10THRBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420865-B2 Phosphine compound, process for producing the same, and peroxide scavenger using the same FUKUOKA UNIVERSITY (JP) 2013-04-16 US disclosed
US-20110015440-A1 PHOSPHINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND PEROXIDE SCAVENGER USING THE SAME FUKUOKA UNIVERSITY (JP) 2011-01-20 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 (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-20110015440-A1 PHOSPHINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND PEROXIDE SCAVENGER USING THE SAME FECH, PRDX5, MTCH2 ESR1 3667/4885ESR2 1790/4885CYP1A2 1207/4885

“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.