SCHEMBL249780

SCHEMBL249780

O=C(O)c1cc[c]c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
ALDH1A1 P00352 5/20 0.44
ALOX15 P16050 1/20 0.44
WDR5 P61964 1/20 0.41
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
LDHA P00338 1/20 0.40
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
ATIC P31939 1/20 0.40
KDM6B O15054 1/20 0.40
KDM6A O15550 1/20 0.40
TET3 O43151 1/20 0.40
KDM4A O75164 1/20 0.40
KDM4B O94953 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
SCHEMBL5966245 0.86 NR4A1 (0.52) NR4A1NR4A2NR4A3ALDH1A1ALOX15
SCHEMBL5213229 0.83 AKR1C3 (0.46) ALDH1A1KDM4EHSD17B10CYP2C9L3MBTL1
SCHEMBL4319548 0.82 KDM4E (0.42) ALDH1A1KDM4EHPGDTSHRL3MBTL1
SCHEMBL249202 0.82 ATM (0.47) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL8648602 0.78 NR4A2 (0.46) NR4A2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8904316 0.76 F2 (0.37) WDR5PKMKMT2A
SCHEMBL29043434 0.76 NR4A1 (0.53) NR4A1NR4A2NR4A3ALDH1A1ALOX15
SCHEMBL9115108 0.76 ALDH1A1 (0.54) ALDH1A1HPGDCYP2C9TSHREGLN1
SCHEMBL297787 0.75 NR4A1 (0.44) NR4A1NR4A2NR4A3ALDH1A1ALOX15
SCHEMBL8748348 0.74 TSHR (0.56) ALDH1A1KDM4EHPGDHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101925658-B Anthrapyridone compound or salt thereof, magenta ink composition containing anthrapyridone compound, and colored body NIPPON KAYAKU KK 2013-10-02 CN claimed
EP-1339663-B1 NAPHTHALENE DERIVATIVES NOVARTIS AG (CH) 2012-01-04 EP claimed
US-20060025345-A1 Substituted ethane-1,2-diamines for the treatment of Alzheimer's disease BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-02 US claimed
WO-1995015325-A1 IMIDAZOLYL-ALKENOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1995-06-08 WO claimed
US-5395847-A Angiotensin II receptor antagonists; useful in regulating hypertension, treatment of congestive heart failure, renal failure, and glaucoma SMITHKLINE BEECHAM CORPORATION (US) 1995-03-07 US claimed
US-10449168-B2 Potent phthalate inhibitors of aspartate N-acetyltransferase and selective aspartate pathway inhibitors THE UNIVERSITY OF TOLEDO (US) 2019-10-22 US disclosed
US-20180250252-A1 POTENT PHTHALATE INHIBITORS OF ASPARTATE N-ACETYLTRANSFERASE AND SELECTIVE ASPARTATE PATHWAY INHIBITORS THE UNIVERSITY OF TOLEDO (US) 2018-09-06 US disclosed
CN-104955332-B The method of preventing and treating arthropod insect 住友化学株式会社 2017-03-29 CN disclosed
WO-2017040376-A1 POTENT PHTHALATE INHIBITORS OF ASPARTATE N-ACETYLTRANSFERASE AND SELECTIVE ASPARTATE PATHWAY INHIBITORS THE UNIVERSITY OF TOLEDO (US) 2017-03-09 WO disclosed
US-20160229784-A1 PROCESSES FOR MAKING CYCLOHEXANE COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 2016-08-11 US disclosed
US-20160229774-A1 PROCESSES FOR MAKING CYCLOHEXANE COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 2016-08-11 US disclosed
US-9346737-B2 Processes for making cyclohexane compounds EASTMAN CHEMICAL COMPANY (US) 2016-05-24 US disclosed
EP-0256781-A2 Silver halide light-sensitive color photographic material suitable for rapid processing KONICA CORPORATION (JP) 1988-02-24 EP disclosed
US-4695530-A PYRAZOLOAZOLE COUPLER FUJI PHOTO FILM CO., LTD. (JP) 1987-09-22 US disclosed
EP-0228299-A2 Silver halide grains, lightsensitive photographic material containing the same and method for preparing silver halide photographic emulsion containing the same KONICA CORPORATION (JP) 1987-07-08 EP disclosed
EP-0199351-A2 Silver halide photographic material KONICA CORPORATION (JP) 1986-10-29 EP disclosed
EP-0171238-A2 Silver halide grains, preparation thereof and light-sensitive photographic material containing said grains KONICA CORPORATION (JP) 1986-02-12 EP disclosed
US-4542094-A HYDROXYTETRAZAINDENES AND MERCAPTO-NITROGENCONTAINING HETEROCYLIC COMPOUNDS KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1985-09-17 US disclosed
US-4260816-A HYPOGLYCEMIC, HYPOLIPIDEMIC AGENTS, TREATMENT OF DIABETES AMERICAN CYANAMID COMPANY (US) 1981-04-07 US disclosed
US-4078937-A SULFUR, HYDROXYTETRAAZAINDENE FUJI PHOTO FILM CO., LTD. (JA) 1978-03-14 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 (5 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-20060025345-A1 Substituted ethane-1,2-diamines for the treatment of Alzheimer's disease PSEN1, PSEN2, APP NR4A1 257/4885NR4A2 406/4885NR4A3 351/4885
US-20160229774-A1 PROCESSES FOR MAKING CYCLOHEXANE COMPOUNDS DHPS, HPD, HAAO NR4A1 3638/4885NR4A2 3918/4885NR4A3 3894/4885
US-10449168-B2 Potent phthalate inhibitors of aspartate N-acetyltransferase and selective aspartate pathway inhibitors NAT1, SAT1, NAALAD2 NR4A1 1329/4885NR4A2 1025/4885NR4A3 1105/4885
US-20180250252-A1 POTENT PHTHALATE INHIBITORS OF ASPARTATE N-ACETYLTRANSFERASE AND SELECTIVE ASPARTATE PATHWAY INHIBITORS NAT1, SAT1, NAALAD2 NR4A1 1329/4885NR4A2 1025/4885NR4A3 1105/4885
US-20160229784-A1 PROCESSES FOR MAKING CYCLOHEXANE COMPOUNDS DHPS, HPD, HAAO NR4A1 3638/4885NR4A2 3918/4885NR4A3 3894/4885

“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.