SCHEMBL1305220

SCHEMBL1305220

BP(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TSHR P16473 3/20 0.42
ACHE P22303 3/20 0.35
TPMT P51580 1/20 0.33
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
C1S P09871 1/20 0.32
PRSS3 P35030 1/20 0.32
SELL P14151 1/20 0.32
SELP P16109 1/20 0.32
SELE P16581 1/20 0.32
RAPGEF4 Q8WZA2 2/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL26115 0.73
SCHEMBL341533 0.73 ALDH1A1 (0.67) ALDH1A1TSHRACHETPMTPRSS1
SCHEMBL503226 0.72 ALDH1A1 (0.47) ALDH1A1TSHRACHETPMTPRSS1
SCHEMBL184471 0.71 ACHE (0.50) ALDH1A1TSHRACHETDP1
SCHEMBL3834701 0.70 ALDH1A1 (0.60) ALDH1A1TSHRACHETPMTPRSS1
SCHEMBL1304637 0.69 ALDH1A1 (0.37) ALDH1A1ACHECYP3A4TDP1
SCHEMBL2229713 0.69 ALDH1A1 (0.44) ALDH1A1TSHRACHETPMTPRSS1
SCHEMBL8373256 0.69 ALDH1A1 (0.44) ALDH1A1TSHRACHETPMTPRSS1
SCHEMBL20750027 0.69 ALDH1A1 (0.38) ALDH1A1TSHRACHETPMTCYP3A4
SCHEMBL23202757 0.69 ALDH1A1 (0.61) ALDH1A1TSHRACHETPMTPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3750896-B1 CHIRAL TETRADENTATE LIGAND, METHOD FOR PRODUCING SAME AND TRANSITION METAL COMPLEX OF SAID CHIRAL TETRADENTATE LIGAND TAKASAGO PERFUMERY CO LTD (JP) 2022-06-29 EP disclosed
EP-3750896-A1 CHIRAL TETRADENTATE LIGAND, METHOD FOR PRODUCING SAME AND TRANSITION METAL COMPLEX OF SAID CHIRAL TETRADENTATE LIGAND Takasago International Corporation (JP) 2020-12-16 EP disclosed
US-20200369700-A1 CHIRAL TETRADENTATE LIGAND, METHOD FOR PRODUCING SAME AND TRANSITION METAL COMPLEX OF SAID CHIRAL TETRADENTATE LIGAND TAKASAGO INTERNATIONAL CORPORATION (JP) 2020-11-26 US disclosed
US-9238667-B2 Rhodium catalyst and method for producing amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-19 US disclosed
US-20150051416-A1 RHODIUM CATALYST AND METHOD FOR PRODUCING AMINE COMPOUND SPERA PHARMA, INC. (JP) 2015-02-19 US disclosed
EP-2832738-A1 RHODIUM CATALYST AND METHOD FOR PRODUCING AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-02-04 EP disclosed
EP-2832738-A1 RHODIUM CATALYST AND METHOD FOR PRODUCING AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-02-04 EP 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
EP-1452537-B1 PROCESS FOR PREPARATION OF DIPHOSPHINE COMPOUNDS AND INTERMEDIATES FOR THE PROCESS TAKEDA PHARMACEUTICAL (JP) 2009-08-05 EP 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 (5 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 4580/4885TSHR 1063/4885ACHE 1352/4885
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 2206/4885TSHR 1972/4885ACHE 7/4885
US-20050027124-A1 Process for preparation of diphosphine compounds and intermediates for the process H1-10, ITPA, RER1 ALDH1A1 4580/4885TSHR 1089/4885ACHE 1361/4885
US-20200369700-A1 CHIRAL TETRADENTATE LIGAND, METHOD FOR PRODUCING SAME AND TRANSITION METAL COMPLEX OF SAID CHIRAL TETRADENTATE LIGAND GPR39, GNG2, AGL ALDH1A1 2790/4885TSHR 339/4885ACHE 2101/4885
US-20150051416-A1 RHODIUM CATALYST AND METHOD FOR PRODUCING AMINE COMPOUND PRMT7, PRMT5, HNMT ALDH1A1 2581/4885TSHR 846/4885ACHE 119/4885

“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.