SCHEMBL254820

SCHEMBL254820

Cc1cc(Cl)ccc1OC(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
HTR2A P28223 1/20 0.64
HTR2C P28335 1/20 0.64
HTR2B P41595 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.53
BRD4 O60885 1/20 0.53
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
ALOX12 P18054 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TRPM4 Q8TD43 1/20 0.48
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
SCN4A P35499 2/20 0.45
CSNK2A1 P68400 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
RORC P51449 1/20 0.44

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
SCHEMBL25586596 0.84 TSHR (0.60) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL10359289 0.84 TSHR (0.65) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL25974456 0.83 HTR2A (0.46) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL900982 0.82 TSHR (0.57) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL12817393 0.81 TSHR (0.57) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL7172382 0.81 CSNK2A1 (0.59) TSHRSMN1; SMN2MAPTLMNAALOX12
SCHEMBL12830571 0.80 TSHR (0.59) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL21056082 0.80 TSHR (0.55) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL21056083 0.80 TSHR (0.55) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL8280908 0.78 FFAR4 (0.43) TSHRHTR2AHTR2CHTR2BSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2023168484-A1 \"COMPOUNDS AND METHODS\ DemAgtech Pty Ltd (AU) 2023-09-14 WO disclosed
WO-2023092188-A1 \"COMPOUNDS AND METHODS\ DemAgtech Pty Ltd (AU) 2023-06-01 WO disclosed
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2023-01-10 US disclosed
US-20210252011-A1 TREATMENT OF GLIOBLASTOMA WITH FASN INHIBITORS CORNELL UNIVERSITY 2021-08-19 US disclosed
US-20210246147-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) Valo Health, LLC 2021-08-12 US disclosed
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2021-08-12 US disclosed
US-20210214323-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2021-07-15 US disclosed
US-10995078-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2021-05-04 US disclosed
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 US disclosed
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 US disclosed
US-7626042-B2 O-substituted hydroxyaryl derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-01 US disclosed
US-7626042-B2 O-substituted hydroxyaryl derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-01 US disclosed
CN-101501061-A Macrocyclic compounds as antiviral agents ANGELETTI P IST RICHERCHE BIO (IT) 2009-08-05 CN disclosed
CN-101263156-A Novel macrocyclic inhibitors of hepatitis C virus replication INTERMUNE INC (US) 2008-09-10 CN disclosed
CN-101233148-A Macrocyclic peptides as HCV NS3 protease inhibitors MERCK & CO INC (US) 2008-07-30 CN disclosed
EP-0257374-A1 Phenoxybenzoic-acid derivatives BAYER AG (DE) 1988-03-02 EP disclosed
EP-0247486-A1 Oxabicyclo[2.2.1]heptene derivatives BAYER AG (DE) 1987-12-02 EP disclosed
EP-0220635-A1 Phenoxybenzoic-acid derivatives BAYER AG (DE) 1987-05-06 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 (8 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-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 TSHR 2846/4885HTR2A 1889/4885HTR2C 3002/4885
US-20210246147-A1 PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) NAMPT, NAPRT, NNMT TSHR 3065/4885HTR2A 2115/4885HTR2C 3428/4885
US-20210252011-A1 TREATMENT OF GLIOBLASTOMA WITH FASN INHIBITORS AIFM2, FABP7, FASN TSHR 3070/4885HTR2A 3874/4885HTR2C 4288/4885
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES RELA, NFKBIA, NFE2 TSHR 3471/4885HTR2A 1522/4885HTR2C 2884/4885
US-20210214323-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD TSHR 3727/4885HTR2A 2979/4885HTR2C 3389/4885
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 TSHR 2455/4885HTR2A 2000/4885HTR2C 3033/4885
US-10995078-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD TSHR 3610/4885HTR2A 2888/4885HTR2C 3397/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 TSHR 2455/4885HTR2A 2000/4885HTR2C 3033/4885

“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.