SCHEMBL184471

SCHEMBL184471

BP(c1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 6/20 0.38
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
TSHR P16473 3/20 0.35
LMNA P02545 3/20 0.35
ALOX12 P18054 1/20 0.35
PKM P14618 2/20 0.35
HTT P42858 2/20 0.35
ATM Q13315 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HPGD P15428 1/20 0.35
NLRP1 Q9C000 1/20 0.35
MEN1 O00255 1/20 0.35
NTSR1 P30989 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL34181 0.73 ACHE (0.57) ACHETDP1ALDH1A1CA2CA1
SCHEMBL15661400 0.73 ACHE (0.57) ACHETDP1ALDH1A1CA2CA1
SCHEMBL5590712 0.71 ACHE (0.53) ACHETDP1ALDH1A1CA2CA1
Bromide SCHEMBL7200758 0.71 ACHE (0.53) ACHETDP1ALDH1A1CA2CA1
Hydrochloric Acid SCHEMBL14335450 0.71 ACHE (0.53) ACHETDP1ALDH1A1CA2CA1
Bromide SCHEMBL3676874 0.71 ACHE (0.53) ACHETDP1ALDH1A1CA2CA1
SCHEMBL7558573 0.71 ACHE (0.53) ACHETDP1ALDH1A1CA2CA1
Hydrochloric Acid SCHEMBL14335453 0.71 ACHE (0.53) ACHETDP1ALDH1A1CA2CA1
SCHEMBL1400954 0.71 ACHE (0.53) ACHETDP1ALDH1A1CA2CA1
SCHEMBL8849358 0.71 ACHE (0.53) ACHETDP1ALDH1A1CA2CA1

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 19 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-1626052-B1 PROCESS FOR PRODUCTION OF PHOSPHINE-BORANE COMPLEXES TAKEDA PHARMACEUTICAL (JP) 2012-01-04 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-7541498-B2 Process for production of phosphine-borane complexes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-02 US disclosed
US-7541498-B2 Process for production of phosphine-borane complexes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-02 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-20060199968-A1 Process for production of phosphine-borane complexes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-07 US disclosed
EP-1626052-A1 PROCESS FOR PRODUCTION OF PHOSPHINE-BORANE COMPLEXES Takeda Pharmaceutical Company Limited (JP) 2006-02-15 EP 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 (6 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 ACHE 1352/4885TDP1 3109/4885ALDH1A1 4580/4885
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 ACHE 7/4885TDP1 1623/4885ALDH1A1 2206/4885
US-20050027124-A1 Process for preparation of diphosphine compounds and intermediates for the process H1-10, ITPA, RER1 ACHE 1361/4885TDP1 3109/4885ALDH1A1 4580/4885
US-20200369700-A1 CHIRAL TETRADENTATE LIGAND, METHOD FOR PRODUCING SAME AND TRANSITION METAL COMPLEX OF SAID CHIRAL TETRADENTATE LIGAND GPR39, GNG2, AGL ACHE 2101/4885TDP1 4534/4885ALDH1A1 2790/4885
US-20150051416-A1 RHODIUM CATALYST AND METHOD FOR PRODUCING AMINE COMPOUND PRMT7, PRMT5, HNMT ACHE 119/4885TDP1 4093/4885ALDH1A1 2581/4885
US-20060199968-A1 Process for production of phosphine-borane complexes BRS3, BRPF1, BRSK1 ACHE 2438/4885TDP1 3327/4885ALDH1A1 4513/4885

“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.