SCHEMBL821938

SCHEMBL821938

O=[PH](c1ccccc1)c1ccc([PH](=O)c2ccccc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
TSHR P16473 4/20 0.32
CES2 O00748 2/20 0.32
CES1 P23141 2/20 0.32
DAO P14920 1/20 0.32
NAPRT Q6XQN6 1/20 0.32
ALOX15 P16050 1/20 0.32
HTR6 P50406 1/20 0.32
CYP2A6 P11509 1/20 0.32
LMNA P02545 2/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
MAOB P27338 1/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
CA12 O43570 1/20 0.30
GLA P06280 1/20 0.30
CA3 P07451 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
SCHEMBL1667 0.97 ALDH1A1 (0.35) ALDH1A1TSHRCES2CES1DAO
SCHEMBL13583073 0.97 ALDH1A1 (0.35) ALDH1A1TSHRCES2CES1DAO
SCHEMBL27731069 0.93 BBOX1 (0.35) ALDH1A1TSHRCES2CES1DAO
SCHEMBL28339876 0.93 ALDH1A1 (0.33) ALDH1A1TSHRCES2CES1DAO
Fluoride SCHEMBL28163952 0.93 ALDH1A1 (0.33) ALDH1A1TSHRCES2CES1DAO
SCHEMBL20338478 0.93 ALDH1A1 (0.33) ALDH1A1TSHRCES2CES1DAO
SCHEMBL28598523 0.93 ALDH1A1 (0.33) ALDH1A1TSHRCES2CES1DAO
SCHEMBL30171495 0.93 ALDH1A1 (0.33) ALDH1A1TSHRCES2CES1DAO
SCHEMBL28335942 0.93 CA4 (0.35) ALDH1A1TSHRCES2CES1DAO
SCHEMBL27981687 0.93 ALDH1A1 (0.33) ALDH1A1TSHRCES2CES1DAO

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-11063223-B2 Organic electron transport material and organic electroluminescent element using same DYDEN CORPORATION (JP) 2021-07-13 US disclosed
US-11063223-B2 Organic electron transport material and organic electroluminescent element using same DYDEN CORPORATION (JP) 2021-07-13 US disclosed
US-20180375032-A1 ORGANIC ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME DYDEN CORPORATION (JP) 2018-12-27 US disclosed
EP-2404671-B2 CATALYST COMPOSITION FOR HYDROFORMYLATION AND METHOD FOR PREPARING ALDEHYDES USING THE SAME LG CHEMICAL LTD (KR) 2018-07-25 EP disclosed
EP-2404671-B1 CATALYST COMPOSITION FOR HYDROFORMYLATION AND METHOD FOR PREPARING ALDEHYDES USING THE SAME LG CHEMICAL LTD (KR) 2014-09-10 EP disclosed
US-8426651-B2 Catalyst composition for hydroformylation and method for producing aldehyde using the same LG CHEM, LTD. (KR) 2013-04-23 US disclosed
EP-2404671-A2 CATALYST COMPOSITION FOR HYDROFORMYLATION AND METHOD FOR PREPARING ALDEHYDES USING THE SAME LG Chem, Ltd. (KR) 2012-01-11 EP disclosed
US-20110201844-A1 CATALYST COMPOSITION FOR HYDROFORMYLATION AND METHOD FOR PRODUCING ALDEHYDE USING THE SAME LG CHEM, LTD. (KR) 2011-08-18 US disclosed
WO-2010093208-A2 CATALYST COMPOSITION FOR HYDROFORMYLATION AND METHOD FOR PREPARING ALDEHYDES USING THE SAME (주) 엘지화학 (KR) 2010-08-19 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 (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-20110201844-A1 CATALYST COMPOSITION FOR HYDROFORMYLATION AND METHOD FOR PRODUCING ALDEHYDE USING THE SAME ALDH3A1, ALDH2, ALDH5A1 ALDH1A1 7/4885TSHR 3164/4885CES2 2942/4885
US-11063223-B2 Organic electron transport material and organic electroluminescent element using same SLCO2A1, SLCO4C1, SLCO2B1 ALDH1A1 1391/4885TSHR 3567/4885CES2 639/4885
US-20180375032-A1 ORGANIC ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME SLCO2A1, SLCO4C1, SLCO2B1 ALDH1A1 1391/4885TSHR 3567/4885CES2 639/4885

“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.