SCHEMBL104729

SCHEMBL104729

CC(C)Oc1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
GAA P10253 1/20 0.53
LMNA P02545 3/20 0.49
HPGD P15428 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
KCNN4 O15554 1/20 0.44
ACHE P22303 1/20 0.44
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40

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
SCHEMBL17070600 1.00 ALDH1A1 (0.53) ALDH1A1GAALMNAHPGDIRAK4
SCHEMBL27327372 0.82 ALDH1A1 (0.50) ALDH1A1GAALMNAHPGDNPSR1
SCHEMBL6797024 0.82 ALDH1A1 (0.50) ALDH1A1GAALMNAHPGDNPSR1
SCHEMBL11916618 0.82 SLC6A2 (0.43) ALDH1A1GAAIRAK4NPSR1KCNN4
SCHEMBL24252044 0.82 ALDH1A1 (0.50) ALDH1A1GAALMNAHPGDNPSR1
SCHEMBL23825186 0.82 ALDH1A1 (0.54) ALDH1A1GAALMNAHPGDNPSR1
SCHEMBL17459933 0.82 ALDH1A1 (0.54) ALDH1A1GAALMNAHPGDNPSR1
SCHEMBL3159206 0.82 ALDH1A1 (0.50) ALDH1A1GAALMNAHPGDNPSR1
SCHEMBL27328741 0.82 ALDH1A1 (0.50) ALDH1A1GAALMNAHPGDNPSR1
SCHEMBL29591819 0.82 ALDH1A1 (0.57) ALDH1A1GAALMNAIRAK4NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12336981-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2025-06-24 US disclosed
US-20230355626-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2023-11-09 US disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-11780823-B2 Indazole-3-carboxamides and their use as Wnt/β-catenin signaling pathway inhibitors BIOSPLICE THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-20230295145-A1 PYRROLIDINE DERIVATIVES AND METHODS OF USE GENENTECH INC (US) 2023-09-21 US disclosed
US-20230295145-A1 PYRROLIDINE DERIVATIVES AND METHODS OF USE GENENTECH INC (US) 2023-09-21 US disclosed
CN-112094259-B Iodine (III) -mediated radiofluorination 通用医疗公司 2023-09-01 CN disclosed
US-20230265094-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-08-24 US disclosed
WO-2000008020-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-17 WO disclosed
US-5401768-A Prostaglandin derivative, antiulcer, hypotensive, anticoagulant TORAY INDUSTRIES, INC. (JP) 1995-03-28 US disclosed
EP-0365678-B1 2,5,6,7-TETRANOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND USE THEREOF TORAY INDUSTRIES (JP) 1994-01-05 EP disclosed
EP-0389162-B1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES (JP) 1993-12-08 EP disclosed
US-5086071-A Improved chemical stability and ppotent in vivo TORAY INDUSTRIES, INC. (JP) 1992-02-04 US disclosed
EP-0232776-B1 2,5,6,7-TETRANOR-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1990-10-24 EP disclosed
EP-0389162-A1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1990-09-26 EP disclosed
EP-0365678-A1 2,5,6,7-TETRANOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1990-05-02 EP disclosed
US-4775692-A ANTILIPEMIC, ANTICOAGULANT, HYPOTENSIVE, ANTISECRETORY AND ANTIULCER AGENT TORAY INDUSTRIES, INC. (JP) 1988-10-04 US disclosed
EP-0232776-A2 2,5,6,7-tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1987-08-19 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-20230295145-A1 PYRROLIDINE DERIVATIVES AND METHODS OF USE DPYD, TP53, GLS ALDH1A1 1085/4885GAA 1211/4885LMNA 2962/4885
US-12336981-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NNT ALDH1A1 984/4885GAA 384/4885LMNA 860/4885
US-20230265094-A1 RIPK1 INHIBITORS AND METHODS OF USE RIPK1, RIPK2, RIPK3 ALDH1A1 4328/4885GAA 910/4885LMNA 755/4885
US-20230355626-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H ALDH1A1 2912/4885GAA 278/4885LMNA 3667/4885
US-11780823-B2 Indazole-3-carboxamides and their use as Wnt/β-catenin signaling pathway inhibitors WNT1, WNT3, WNT3A ALDH1A1 1282/4885GAA 2353/4885LMNA 2275/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 ALDH1A1 1273/4885GAA 624/4885LMNA 1579/4885

“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.