SCHEMBL1398393

SCHEMBL1398393

COc1ccc(C(=O)C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.59
CES2 O00748 2/20 0.59
CA1 P00915 6/20 0.57
CA2 P00918 6/20 0.57
PARP1 P09874 1/20 0.55
PARP10 Q53GL7 1/20 0.55
PARP2 Q9UGN5 1/20 0.55
PARP4 Q9UKK3 1/20 0.55
MLYCD O95822 2/20 0.55
PLK1 P53350 1/20 0.52
MAPT P10636 3/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
GSK3B P49841 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL29035966 0.86 CES2 (0.57) CES1CES2CA1CA2PARP1
SCHEMBL22116187 0.86 CES2 (0.57) CES1CES2CA1CA2PARP1
SCHEMBL32670446 0.85 SMN1; SMN2 (0.68) PARP10MAPTRAB9A
SCHEMBL10532095 0.84 CES2 (0.55) CES1CES2CA1CA2PARP1
SCHEMBL28518393 0.84 CES2 (0.55) CES1CES2CA1CA2PARP1
SCHEMBL18536482 0.84 CA1 (0.57) CES1CES2CA1CA2PARP1
SCHEMBL12471815 0.83 KDM4E (0.64) CES1CES2MAPTKDM4EGAA
SCHEMBL16147948 0.82 CES2 (0.53) CES1CES2CA1CA2PARP1
SCHEMBL9559909 0.82 CA1 (0.59) CES1CES2CA1CA2PARP1
SCHEMBL757101 0.81 CES2 (0.61) CES1CES2CA1CA2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3222712-A1 ALCOHOL DEHYDROGENASE FROM PICHIA PASTORIS AND USE THEREOF Universität zu Köln (DE) 2017-09-27 EP claimed
US-20030144541-A1 Process for preparing alpha-halogenated retones RHODIA CHIMIE (FR) 2003-07-31 US claimed
EP-1250303-A1 METHOD FOR PREPARING ALPHA-HALOGENATED KETONES RHODIA CHIMIE (FR) 2002-10-23 EP claimed
WO-2001055067-A1 METHOD FOR PREPARING ALPHA-HALOGENATED KETONES RHODIA CHIMIE (FR) 2001-08-02 WO claimed
US-12486258-B2 Compounds and methods for regulating insulin secretion THE BROAD INSTITUTE, INC. (US) 2025-12-02 US disclosed
US-20250288683-A1 TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XL DEGRADERS Treeline Biosciences, Inc. 2025-09-18 US disclosed
US-20250243168-A1 ACETYL-COA SYNTHETASE 2 (ACSS2) INHIBITORS AND METHODS USING SAME THE WISTAR INST (US) 2025-07-31 US disclosed
US-12281084-B2 Acetyl-CoA synthetase 2 (ACSS2) inhibitors and methods using same THE WISTAR INSTITUTE (US) 2025-04-22 US disclosed
US-12258355-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2025-03-25 US disclosed
EP-4519272-A1 TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XL DEGRADERS Treeline Biosciences, Inc. (US) 2025-03-12 EP disclosed
US-12239643-B2 Therapeutic agent for inflammatory diseases, autoimmune diseases, fibrotic diseases, and cancer diseases MEIJI SEIKA PHARMA CO., LTD. (JP) 2025-03-04 US disclosed
EP-3981754-B1 METHOD FOR MANUFACTURING 1-HALO-2-FLUOROETHYLENE DAIKIN IND LTD (JP) 2024-11-06 EP disclosed
EP-0211561-B1 INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-11 EP disclosed
EP-0240121-B1 DIPHENYL ETHER DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-17 EP disclosed
EP-0390228-A2 Chemical intermediates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-10-03 EP disclosed
US-4806685-A EXERTS VARIOUS EFFECTS ON ENDOCRINOUS SYSTEM OF RATS; INHIBITS GROWTH OF MAMMARY TUMORS GYOGYSZERKUTATO INTEEZET/PHARMACEUTICAL RESEARCH INSTITUTE (HU) 1989-02-21 US disclosed
US-4791139-A Diphenyl ether derivatives and their use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-13 US disclosed
EP-0240121-A2 Diphenyl ether derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-10-07 EP disclosed
EP-0211561-A1 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-02-25 EP disclosed
US-4307024-A 1,1,1-Triaryl-2,2,2-trifluoroethanes and process for their synthesis NASA 1981-12-22 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-12281084-B2 Acetyl-CoA synthetase 2 (ACSS2) inhibitors and methods using same ACSS2, ACACB, ACACA CES1 66/4885CES2 226/4885CA1 1165/4885
US-12486258-B2 Compounds and methods for regulating insulin secretion IAPP, GPR119, PNLIP CES1 732/4885CES2 632/4885CA1 2634/4885
US-20030144541-A1 Process for preparing alpha-halogenated retones ADH1A, ADH1C, RER1 CES1 1072/4885CES2 1415/4885CA1 671/4885
US-12258355-B2 Probes for imaging huntingtin protein HTT, HYPK, HSPBP1 CES1 3917/4885CES2 3639/4885CA1 941/4885
US-20250243168-A1 ACETYL-COA SYNTHETASE 2 (ACSS2) INHIBITORS AND METHODS USING SAME ACSS2, ACACB, ACACA CES1 66/4885CES2 226/4885CA1 1165/4885
US-20250288683-A1 TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XL DEGRADERS BCL2L1, BCL2, BCL2L10 CES1 3681/4885CES2 3391/4885CA1 3878/4885
US-12239643-B2 Therapeutic agent for inflammatory diseases, autoimmune diseases, fibrotic diseases, and cancer diseases CCR1, SSB, C5 CES1 365/4885CES2 2380/4885CA1 629/4885

“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.