SCHEMBL2493749

SCHEMBL2493749

COc1cc(C(C)C)ccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 3/20 0.50
HPGD P15428 3/20 0.50
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
NPSR1 Q6W5P4 2/20 0.46
BLM P54132 1/20 0.46
TSHR P16473 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTT P42858 1/20 0.46
XBP1 P17861 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HIF1A Q16665 1/20 0.45
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 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
SCHEMBL1595676 0.87 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDPPARGPPARA
SCHEMBL27707551 0.86 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDPPARGPPARA
SCHEMBL31457089 0.86 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDPPARGPPARA
SCHEMBL27275388 0.86 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDPPARGPPARA
SCHEMBL1259349 0.86 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDNPSR1BLM
SCHEMBL487560 0.86 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDNPSR1HDAC4
Hydrochloric Acid SCHEMBL12499283 0.85 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDPPARGPPARA
SCHEMBL13895741 0.84 MKNK1 (0.48) ALDH1A1HPGDHDAC4HDAC8XBP1
SCHEMBL15975836 0.84 HPGD (0.51) ALDH1A1KDM4EHPGDHDAC4HDAC8
SCHEMBL29196276 0.84 HDAC4 (0.45) ALDH1A1HPGDNPSR1BLMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112852513-B Coal water slurry, preparation method thereof and preparation method of synthesis gas 国家能源集团宁夏煤业有限责任公司 2023-03-17 CN claimed
US-20230265055-A1 STAT INIHIBITORY COMPOUNDS AND COMPOSITIONS OXFORD FINANCE LLC 2023-08-24 US disclosed
CN-112852513-B Coal water slurry, preparation method thereof and preparation method of synthesis gas 国家能源集团宁夏煤业有限责任公司 2023-03-17 CN disclosed
WO-2022121844-A1 DIHYDROPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海维申医药有限公司 2022-06-16 WO disclosed
US-9790213-B2 Imidazoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2017-10-17 US disclosed
US-9765018-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-19 US disclosed
US-20160368922-A1 2-OXO-1,3,8-TRIAZASPIRO[4.5]DECAN-3-YL] CARBOXYLIC ACID DERIVATIVES ELI LILLY AND COMPANY 2016-12-22 US disclosed
US-8791257-B2 Substituted pyrrolotriazines as protein kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-29 US disclosed
US-8629141-B2 Spiro-oxindole MDM2 antagonists THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-01-14 US disclosed
CN-101402562-B Novel benzophenone derivatives or salts thereof TOYAMA CHEMICAL CO LTD 2013-07-31 CN disclosed
EP-1084122-B1 TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2003-10-22 EP disclosed
US-20030144320-A1 For treatment and/or prevention of anxiety, mania, depression, panic disorders, nerve sustem disorders SMITHKLINE BEECHAM P.L.C. 2003-07-31 US disclosed
US-6492378-B1 Substituted isoquinoline derivatives and their use as anticonvulsivants SMITHKLINE BEECHAM P.L.C. (GB) 2002-12-10 US disclosed
US-20020143029-A1 Tetrahydronaphthyridinyl-carboxamides having anti-convulsant activity SMITHKLINE BEECHAM P.L.C. 2002-10-03 US disclosed
US-6410555-B1 ANTIEPILEPTIC AGENTS; HEADACHES SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US disclosed
US-20010025045-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2001-09-27 US disclosed
US-20010016657-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2001-08-23 US disclosed
US-6277861-B1 FOR TREATMENT AND PROPHYLAXIS OF NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS, MUSCULAR DISORDERS, DRUG ADDICTION WITHDRAWAL, PAIN SMITHKLINE BEECHAM, P.L.C. (GB) 2001-08-21 US disclosed
US-6110934-A Substituted benzamide derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. (GB) 2000-08-29 US disclosed
CN-1222145-A Substituted benzamide derivatives and their use as anticonvulsants SMITHKLINE BEECHAM PLC (GB) 1999-07-07 CN 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-20020143029-A1 Tetrahydronaphthyridinyl-carboxamides having anti-convulsant activity CNR1, SCN1B, CNR2 ALDH1A1 2827/4885KDM4E 3088/4885HPGD 1594/4885
US-20010016657-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A ALDH1A1 494/4885KDM4E 910/4885HPGD 589/4885
US-20030144320-A1 For treatment and/or prevention of anxiety, mania, depression, panic disorders, nerve sustem disorders PNMT, SLC6A2, GABBR1 ALDH1A1 464/4885KDM4E 2455/4885HPGD 1282/4885
US-20010025045-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A ALDH1A1 494/4885KDM4E 910/4885HPGD 589/4885
US-20160368922-A1 2-OXO-1,3,8-TRIAZASPIRO[4.5]DECAN-3-YL] CARBOXYLIC ACID DERIVATIVES SLC5A2, SLC5A1, GPR119 ALDH1A1 131/4885KDM4E 1878/4885HPGD 3736/4885
US-20230265055-A1 STAT INIHIBITORY COMPOUNDS AND COMPOSITIONS STAT5B, STAT5A, STAT3 ALDH1A1 3726/4885KDM4E 2049/4885HPGD 1817/4885

“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.