SCHEMBL1305083

SCHEMBL1305083

O=[P](c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TAAR1 Q96RJ0 2/20 0.43
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MMP3 P08254 1/20 0.43
BCL2L1 Q07817 1/20 0.43
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
MAPT P10636 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
ABCC4 O15439 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 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
SCHEMBL30028910 0.97 ALDH1A1 (0.47) ALDH1A1TAAR1MAPK1CYP1A2CYP3A4
SCHEMBL1666 0.82 TDP1 (0.53) ALDH1A1CYP3A4TDP1CA1CA2
SCHEMBL31189335 0.80 MAOA (0.43) ALDH1A1CYP3A4TDP1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL27938194 0.79 TDP1 (0.50) ALDH1A1CYP3A4TDP1CA1CA2
SCHEMBL28556505 0.79 TDP1 (0.50) ALDH1A1CYP3A4TDP1CA1CA2
SCHEMBL28831553 0.79 TDP1 (0.50) ALDH1A1CYP3A4TDP1CA1CA2
SCHEMBL27490320 0.79 TDP1 (0.50) ALDH1A1CYP3A4TDP1CA1CA2
Ammonia Solution, Strong SCHEMBL27727604 0.79 TDP1 (0.50) ALDH1A1CYP3A4TDP1CA1CA2
SCHEMBL14244857 0.77 MAOA (0.44) ALDH1A1CYP3A4TDP1MAPTSMN1; SMN2
SCHEMBL31189334 0.77 MAOA (0.44) ALDH1A1CYP3A4TDP1MAPTSMN1; SMN2

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
CN-119613454-A Preparation method of difluoromethyl-containing compound 昆明理工大学 2025-03-14 CN disclosed
CN-119431439-A Method for preparing 2-formylaryl (phosphinic) phosphine/phosphoramide compound 岳阳凯茂化工材料有限公司 2025-02-14 CN disclosed
CN-111647018-A Preparation method of phosphorus center chiral compound 杭州师范大学 2020-09-11 CN disclosed
EP-2537839-B1 B-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING B-DIHYDROFURAN DERIVING COMPOUND OR B-TETRAHYDROFURAN DERIVING COMPOUND, B -GLYCOSIDE COMPOUND, METHOD FOR PRODUCING B-GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF NISSAN CHEMICAL IND LTD (JP) 2016-12-14 EP disclosed
US-9212174-B2 Certain β-dihydrofuran derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-15 US disclosed
EP-2537839-A1 B-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING B-DIHYDROFURAN DERIVING COMPOUND OR B-TETRAHYDROFURAN DERIVING COMPOUND, B -GLYCOSIDE COMPOUND, METHOD FOR PRODUCING B-GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF Nissan Chemical Industries, Ltd. (JP) 2012-12-26 EP disclosed
US-20120322995-A1 beta-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING beta-DIHYDROFURAN DERIVING COMPOUND OR beta-TETRAHYDROFURAN DERIVING COMPOUND, beta-GLYCOSIDE COMPOUND, METHOD FOR PRODUCING beta GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-12-20 US disclosed
US-8053604-B2 Process for preparation of diphosphine compounds and intermediates for the process TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-08 US disclosed
US-20100125153-A1 PROCESS FOR PREPARATION OF DIPHOSPHINE COMPOUNDS AND INTERMEDIATES FOR THE PROCESS SPERA PHARMA, INC. (JP) 2010-05-20 US disclosed
US-7678942-B2 Process for preparation of diphosphine compounds and intermediates for the process TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-16 US disclosed
US-20070161805-A1 Phosphine-borane complex enantiomorph compounds produced in solvents and in the presence of nickel catalysts; useful for asymmetric synthesis of compounds useful as drug for prophylaxis or treatment of increased urinary frequency or urinary incontinence, Alzheimer's disease SPERA PHARMA, INC. (JP) 2007-07-12 US disclosed
US-7208633-B2 Process for preparation of diphosphine compounds and intermediates for the process TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-24 US disclosed
US-20050027124-A1 Process for preparation of diphosphine compounds and intermediates for the process SPERA PHARMA, INC. (JP) 2005-02-03 US disclosed
EP-1452537-A1 PROCESS FOR PREPARATION OF DIPHOSPHINE COMPOUNDS AND INTERMEDIATES FOR THE PROCESS Takeda Chemical Industries, Ltd. (JP) 2004-09-01 EP 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 (4 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-20100125153-A1 PROCESS FOR PREPARATION OF DIPHOSPHINE COMPOUNDS AND INTERMEDIATES FOR THE PROCESS H1-10, ITPA, RER1 ALDH1A1 4580/4885TAAR1 1516/4885MAPK1 187/4885
US-20070161805-A1 Phosphine-borane complex enantiomorph compounds produced in solvents and in the presence of nickel catalysts; useful for asymmetric synthesis of compounds useful as drug for prophylaxis or treatment of increased urinary frequency or urinary incontinence, Alzheimer's disease BACE1, H1-10, PRMT1 ALDH1A1 2206/4885TAAR1 215/4885MAPK1 928/4885
US-20050027124-A1 Process for preparation of diphosphine compounds and intermediates for the process H1-10, ITPA, RER1 ALDH1A1 4580/4885TAAR1 1555/4885MAPK1 192/4885
US-20120322995-A1 beta-DIHYDROFURAN DERIVING COMPOUND, METHOD FOR PRODUCING beta-DIHYDROFURAN DERIVING COMPOUND OR beta-TETRAHYDROFURAN DERIVING COMPOUND, beta-GLYCOSIDE COMPOUND, METHOD FOR PRODUCING beta GLYCOSIDE COMPOUND, AND METHOD FOR PRODUCING 4'-ETHYNYL D4T AND ANALOGUE COMPOUNDS THEREOF DHPS, B4GALT1, STT3A ALDH1A1 495/4885TAAR1 4827/4885MAPK1 4092/4885

“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.