SCHEMBL5335876

SCHEMBL5335876

COc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2OC)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.70
HPGD P15428 2/20 0.69
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
RAB9A P51151 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
ALDH1A1 P00352 4/20 0.62
NPC1 O15118 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MAPT P10636 1/20 0.59
USP2 O75604 1/20 0.59
LMNA P02545 1/20 0.58
MAPK1 P28482 1/20 0.58
MMP13 P45452 1/20 0.58
ROCK2 O75116 1/20 0.58
ROCK1 Q13464 1/20 0.58

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
SCHEMBL5335606 1.00 PKM (0.70) PKMHPGDKMT2AMEN1RAB9A
SCHEMBL5338096 0.95 PKM (0.77) PKMHPGDKMT2AMEN1TDP1
SCHEMBL5334385 0.91 PKM (0.69) PKMHPGDKMT2AMEN1TDP1
SCHEMBL5334387 0.91 PKM (0.69) PKMHPGDKMT2AMEN1TDP1
SCHEMBL1042327 0.88 RAB9A (0.78) KMT2AMEN1RAB9ATDP1ALDH1A1
SCHEMBL5334043 0.87 CYP1A2 (0.65) KMT2AMEN1RAB9ATDP1ALDH1A1
SCHEMBL5338191 0.86 MEN1 (0.80) HPGDKMT2AMEN1RAB9AALDH1A1
SCHEMBL5335908 0.85 PKM (0.64) PKMHPGDKMT2AMEN1RAB9A
SCHEMBL5337784 0.85 PKM (0.64) PKMHPGDKMT2AMEN1RAB9A
SCHEMBL5331587 0.85 NPC1 (0.67) PKMHPGDRAB9ATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3802847-A1 INCREASING EFFICIENCY OF PHOTOCHEMICAL REACTIONS ON SUBSTRATES Centrillion Technologies, Inc. (US) 2021-04-14 EP claimed
US-20060025396-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors BARVIAN NICOLE C 2006-02-02 US claimed
EP-1362028-A2 ISOPHTHALIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP claimed
US-20020156061-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors BARVIAN NICOLE CHANTEL (US) 2002-10-24 US claimed
WO-2002064547-A2 ISOPHTHALIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
WO-1996032459-A1 FIRE RETARDANT AND METHOD FOR PREPARATION AMERICAN UNI-TECH, INC. (US) 1996-10-17 WO claimed
US-5405555-A Mixture of ammonium sulfate, boric acid, borax, hydrogen perox peroxide and an alkyl phthalate ester AMERICAN UNI-TECH, INC. (US) 1995-04-11 US claimed
EP-0500820-A4 IMPROVED SPRAY FORMULATION FOR THE TESTING OF SMOKE DETECTORS 1993-06-02 EP claimed
EP-0500820-A1 IMPROVED SPRAY FORMULATION FOR THE TESTING OF SMOKE DETECTORS COOPER, Leon (US) 1992-09-02 EP claimed
US-5139699-A Mixtures of hydrocarbon propellants, dialkyl phthalate esters, for manual spraying from aerosol containers HOME SAFEGUARD INDUSTRIES, L.L.C. 1992-08-18 US claimed
WO-1992000240-A1 IMPROVED SPRAY FORMULATION FOR THE TESTING OF SMOKE DETECTORS COOPER LEON (US) 1992-01-09 WO claimed
US-5041365-A Containing magenta coupler and stain inhibitory additive FUJI PHOTO FILM CO., LTD. (JP) 1991-08-20 US claimed
US-4983507-A CONTAINING MAGENTA COLOR IMAGE-FORMING OLEOPHILIC COUPLER FUJI PHOTO FILM CO., LTD. (JP) 1991-01-08 US claimed
EP-0230048-B1 SILVER HALIDE COLOR PHOTOGRAPHIC MATERIALS FUJI PHOTO FILM CO., LTD. (JP) 1990-07-04 EP claimed
US-4704350-A PREVENTION OF STAINS DURING DEVELOPMENT FUJI PHOTO FILM CO., LTD. (JP) 1987-11-03 US claimed
EP-0230048-A2 Silver halide color photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1987-07-29 EP claimed
WO-2015092410-A1 FIRE RETARDANT COMPOSITION AL-HAJAM ESTABLISHMENT (VOLUME TRADING) (SA) 2015-06-25 WO disclosed
CN-104341256-A Low-cost and environment-friendly synthesis method of biphenyl derivatives HARBIN INST TECH WEIHAI 2015-02-11 CN disclosed
EP-0236131-A2 Silver halide color photographic material KONICA CORPORATION (JP) 1987-09-09 EP disclosed
EP-0228064-A2 Photographic elements with sterically hindered photographic coupler solvents EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1987-07-08 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 (2 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-20060025396-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors MMP13, MMP11, MMP3 PKM 4774/4885HPGD 353/4885KMT2A 3382/4885
US-20020156061-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors MMP13, MMP1, MMP11 PKM 4791/4885HPGD 189/4885KMT2A 2496/4885

“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.