SCHEMBL509212

SCHEMBL509212

O=C(C1CCCCC1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TSHR P16473 3/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.38
HSD11B1 P28845 3/20 0.37
EPHX1 P07099 4/20 0.35
RECQL P46063 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
HSD11B2 P80365 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL18791044 1.00 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL18791047 1.00 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL9011610 0.97 CES2 (0.46) CES2CES1HDAC8HDAC6TSHR
SCHEMBL2759589 0.92 CES2 (0.39) CES2CES1HDAC8HDAC6TSHR
SCHEMBL6141459 0.86
SCHEMBL24241265 0.78 EPHX1 (0.33) CES2CES1ALDH1A1EPHX1RECQL
SCHEMBL8595527 0.77 LMNA (0.43) TSHRSMN1; SMN2
SCHEMBL8595532 0.77 LMNA (0.43) TSHRSMN1; SMN2
SCHEMBL18988346 0.75 EPHX2 (0.32)
SCHEMBL17308235 0.75 EPHX1 (0.33) EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250090500-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2025-03-20 US disclosed
US-12220401-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY, INC. (US) 2025-02-11 US disclosed
US-11826351-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY INC. (US) 2023-11-28 US disclosed
US-20230372298-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2023-11-23 US disclosed
US-11471441-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY INC. (US) 2022-10-18 US disclosed
US-11440892-B2 Substituted dihydrobenzoxazinones, dihydroquinolones, and methods of their use and synthesis NORTHWESTERN UNIVERSITY (US) 2022-09-13 US disclosed
CN-114716381-A Compounds useful as kinase inhibitors 洛克索肿瘤学股份有限公司 2022-07-08 CN disclosed
CN-114634447-A Compounds useful as kinase inhibitors 洛克索肿瘤学股份有限公司 2022-06-17 CN disclosed
CN-114621146-A Compounds useful as kinase inhibitors 洛克索肿瘤学股份有限公司 2022-06-14 CN disclosed
CN-114605327-A Compounds useful as kinase inhibitors 洛克索肿瘤学股份有限公司 2022-06-10 CN disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
US-6288077-B1 2-AZABICYCLO(3.1.0)HEXANE-1,2-DICARBOXYLIC AMIDE OR 2-AZABICYCLO(4.1.0)HEPTANE-1,2-DICARBOXYLIC AMIDE DERIVATIVE; TRYPSIN-LIKE SERINE PROTEASE INHIBITOR; ANTICOAGULANTS ADIR ET COMPAGNIE (FR) 2001-09-11 US disclosed
EP-0623103-B1 PROCESS FOR PRODUCING TRIFLUOROMETHYL KETONES HOECHST SCHERING AGREVO GMBH (DE) 1997-09-03 EP disclosed
US-5608062-A Process for preparing trifluoromethyl ketones HOECHST SCHERING AGREVO GMBH (DE) 1997-03-04 US disclosed
EP-0418362-B1 TRIFLUOROMETHYLCYCLOHEXANE DERIVATIVES MERCK PATENT GMBH (DE) 1995-01-04 EP disclosed
US-5209868-A Liquid crystal medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-05-11 US disclosed
EP-0418362-A1 TRIFLUOROMETHYLCYCLOHEXANE DERIVATIVES. MERCK PATENT GMBH (DE) 1991-03-27 EP disclosed
WO-1990012073-A1 TRIFLUOROMETHYLCYCLOHEXANE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-10-18 WO disclosed
US-4378366-A HYPOTENSIVE AND CARDIOTONIC AGENTS; ADRENERGIC STIMULANTS SCIENCE UNION ET CIE (FR) 1983-03-29 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 (7 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-12220401-B2 Compounds useful as kinase inhibitors BTK, ABL1, LCK CES2 2629/4885CES1 3013/4885HDAC8 1621/4885
US-20250090500-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK CES2 2629/4885CES1 3013/4885HDAC8 1621/4885
US-11826351-B2 Compounds useful as kinase inhibitors BTK, ABL1, LCK CES2 2629/4885CES1 3013/4885HDAC8 1621/4885
US-11471441-B2 Compounds useful as kinase inhibitors BTK, ABL1, LCK CES2 2629/4885CES1 3013/4885HDAC8 1621/4885
US-20230372298-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK CES2 2629/4885CES1 3013/4885HDAC8 1621/4885
US-11440892-B2 Substituted dihydrobenzoxazinones, dihydroquinolones, and methods of their use and synthesis NQO1, DHPS, NQO2 CES2 2037/4885CES1 1436/4885HDAC8 918/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A CES2 958/4885CES1 2224/4885HDAC8 3914/4885

“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.