SCHEMBL3265241

SCHEMBL3265241

CCCCCP(CCCCC)c1ccc2ccccc2c1-c1c(P(CCCCC)CCCCC)ccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.40
GAA P10253 5/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
NPC1 O15118 4/20 0.40
HTT P42858 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GLA P06280 1/20 0.40
RCE1 Q9Y256 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 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
SCHEMBL15660484 0.98 GAA (0.41) TLR8GAAALDH1A1KDM4ENPC1
SCHEMBL15659112 0.98 GAA (0.41) TLR8GAAALDH1A1KDM4ENPC1
SCHEMBL15657877 0.98 GAA (0.41) TLR8GAAALDH1A1KDM4ENPC1
SCHEMBL15658141 0.95 GAA (0.41) TLR8GAAALDH1A1KDM4ENPC1
SCHEMBL29100398 0.90 TLR8 (0.40) TLR8GAAALDH1A1KDM4ENPC1
SCHEMBL15657108 0.88 MAPT (0.40) TLR8GAAALDH1A1TDP1L3MBTL1
SCHEMBL15656771 0.85 GAA (0.42) TLR8GAAALDH1A1KDM4ENPC1
SCHEMBL478253 0.84 CNR1 (0.39) TLR8GAAALDH1A1KDM4ENPC1
SCHEMBL7171433 0.84 GAA (0.34) TLR8GAAALDH1A1KDM4ENPC1
SCHEMBL15657848 0.84 KDM4E (0.43) TLR8GAAALDH1A1KDM4ENPC1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2735581-B1 COMPOSITION AND POLYMER ASAHI CHEMICAL IND (JP) 2021-07-14 EP disclosed
US-9738757-B2 Composition and polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-08-22 US disclosed
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 US disclosed
US-20160222168-A1 Composition and Polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-08-04 US disclosed
US-9334371-B2 Composition and polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-05-10 US disclosed
US-20150218194-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-08-06 US disclosed
US-9006387-B2 Anti-viral compounds ABBVIE INC. (US) 2015-04-14 US disclosed
US-20150087618-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-03-26 US disclosed
US-20140315792-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES 2014-10-23 US disclosed
EP-2735581-A1 COMPOSITION AND POLYMER Asahi Kasei Chemicals Corporation (JP) 2014-05-28 EP disclosed
US-20030225297-A1 Process for preparing chiral diphosphines RHODIA CHIMIE 2003-12-04 US disclosed
US-6610875-B1 Forming bidentate ligands ofr assymetric catalysts; bromina-ting diaryldiol; esterifying with sulfonic acid; substituting cyano for bromine groups; coupling with a dicyclophosphine RHODIA CHIMIE (FR) 2003-08-26 US disclosed
US-6184415-B1 ASYMMETRIC HYDROGENATION OF A 2-HALO(ELECTRONEGATIVE)ALKENOIC ACID/SALT (2-HALOACRYLIC ACID OR SALT), USING AN ENANTIOMETRICAL RICHED CATALYST OF 2,2'-BIS(DIARYLPHOSPHINO-PHINO-1,1'-BINAPHTHYL COMPLEX OF RUTHENIUM; HALIDE PROMOTERS ALBEMARLE CORPORATION 2001-02-06 US disclosed
EP-0738254-B1 ASYMETRIC HYDROGENATION OF BETA- or GAMMA-KETOESTERS AND BETA- or GAMMA-KETOAMIDES MERCK & CO INC (US) 1999-04-14 EP disclosed
US-5596113-A HYDROGENATION CATALYSTS MERCK & CO., INC. (US) 1997-01-21 US disclosed
US-5508435-A ASYMMETRIC REDUCTION WITH A RUTHENIUM CATALYST IN PRESENCE OF A STRONG ACID MERCK & CO., INC. (US) 1996-04-16 US disclosed
US-5202473-A Hydrogenation of a-arylpropenoic acid MONSANTO COMPANY (US) 1993-04-13 US disclosed
EP-0536105-A1 Ruthenium(II)-binap diketonate complexes MONSANTO COMPANY (US) 1993-04-07 EP disclosed
US-5198561-A Phosphine complexes with ruthenium MONSANTO COMPANY (US) 1993-03-30 US disclosed
US-5144050-A Hydrogenation Catalysts MONSANTO COMPANY (US) 1992-09-01 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 (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-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS TLR8 2394/4885GAA 223/4885ALDH1A1 2858/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TLR8 2394/4885GAA 223/4885ALDH1A1 2858/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TLR8 2394/4885GAA 223/4885ALDH1A1 2858/4885
US-20030225297-A1 Process for preparing chiral diphosphines CYP1A1, NR5A1, AR TLR8 4282/4885GAA 3491/4885ALDH1A1 964/4885

“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.