SCHEMBL727064

SCHEMBL727064

O=C(O)CCC(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
KMO O15229 3/20 0.57
NR4A2 P43354 1/20 0.53
KMT2A Q03164 1/20 0.53
USP5 P45974 1/20 0.53
HSD11B1 P28845 1/20 0.53
FFAR1 O14842 1/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.52
SRD5A2 P31213 1/20 0.52
PKM P14618 1/20 0.51

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
SCHEMBL5848843 0.89 TSHR (0.55) TSHRKMOHSD11B1SRD5A2
SCHEMBL6360749 0.89 TSHR (0.55) TSHRKMOHSD11B1SRD5A2
SCHEMBL5849219 0.87 HDAC3 (0.58) TSHRKMOHSD11B1LMNASRD5A2
SCHEMBL7862868 0.86 SMN1; SMN2 (0.64) TSHRKMONR4A2KMT2AUSP5
SCHEMBL11637468 0.85 USP5 (0.50) TSHRNR4A2KMT2AUSP5FFAR1
SCHEMBL11706074 0.85 CA2 (0.51) TSHRNR4A2KMT2AUSP5FFAR1
SCHEMBL2875993 0.84 USP5 (0.49) TSHRKMONR4A2KMT2AUSP5
SCHEMBL11089924 0.84 USP5 (0.49) TSHRNR4A2KMT2AUSP5FFAR1
SCHEMBL10598079 0.84 KMT2A (0.58) TSHRNR4A2KMT2AUSP5FFAR1
SCHEMBL11743831 0.84 USP5 (0.49) TSHRNR4A2KMT2AUSP5FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4813800-B2 2011-11-09 JP claimed
US-20060142358-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2006-06-29 US claimed
EP-1581215-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GmbH (DE) 2005-10-05 EP claimed
EP-1581216-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES BY INCREASING THE NUMBER OF ISLETS OF LANGERHANS CELLS MERCK PATENT GmbH (DE) 2005-10-05 EP claimed
WO-2004060368-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES BY INCREASING THE NUMBER OF ISLETS OF LANGERHANS CELLS MERCK PATENT GMBH (DE) 2004-07-22 WO claimed
WO-2004060369-A1 KYNURENINE 3-HYDROXYLASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2004-07-22 WO claimed
EP-0624152-B1 PROCESS FOR PREPARING KETONE ENANTIOMER PFIZER (US) 1996-11-13 EP claimed
US-5466880-A Process for preparing ketone enantiomer PFIZER INC. (US) 1995-11-14 US claimed
EP-0624152-A1 PROCESS FOR PREPARING KETONE ENANTIOMER. PFIZER (US) 1994-11-17 EP claimed
WO-1993012062-A1 PROCESS FOR PREPARING KETONE ENANTIOMER PFIZER INC. (US) 1993-06-24 WO claimed
EP-0295050-B1 PROCESS FOR PREPARING A 4,4-DIPHENYLBUTANOIC ACID DERIVATIVE PFIZER INC. (US) 1991-04-17 EP claimed
EP-0295050-A1 Process for preparing a 4,4-diphenylbutanoic acid derivative PFIZER INC. (US) 1988-12-14 EP claimed
US-4777288-A Process for preparing a 4,4-diphenylbutanoic acid derivative PFIZER INC. (US) 1988-10-11 US claimed
JP-1009953-A None JP disclosed
US-10829427-B2 Naphthoquinones, pro-drugs, and methods of use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-11-10 US disclosed
US-10829427-B2 Naphthoquinones, pro-drugs, and methods of use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-11-10 US disclosed
US-4136184-A TRANQUILIZERS, ANTICONVULSANTS, MUSCLE RELAXANTS SANDOZ, INC. (US) 1979-01-23 US disclosed
US-4055644-A CNS DEPRESSANTS SANDOZ, INC. (US) 1977-10-25 US disclosed
US-4052395-A AGRICULTURAL FUNGICIDAL COMPOSITIONS CONTAINING 6-(SUBSTITUTED PHENYL)-PYRIDAZINONES AND SAID PYRIDAZINONES SANKYO COMPANY LIMITED (JA) 1977-10-04 US disclosed
US-3931176-A CNS DEPRESSANT SANDOZ INC. (US) 1976-01-06 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 (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-10829427-B2 Naphthoquinones, pro-drugs, and methods of use thereof NQO1, RECQL, ABCB1 TSHR 3159/4885KMO 2036/4885NR4A2 469/4885
US-20060142358-A1 Kynurenine 3-hydroxylase inhibitors for the treatment of diabetes KYNU, KMO, AADAT TSHR 2294/4885KMO 2/4885NR4A2 2009/4885

“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.