SCHEMBL81840

SCHEMBL81840

OCCCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.57
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
MAOB P27338 1/20 0.50
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
PTPN11 Q06124 1/20 0.48
MIF P14174 1/20 0.47
GAA P10253 1/20 0.47
FDFT1 P37268 2/20 0.46
CA2 P00918 1/20 0.46
IDO1 P14902 4/20 0.45
TLR8 Q9NR97 1/20 0.44
CYP4A11 Q02928 1/20 0.43

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
SCHEMBL2653224 0.94 MAOB (0.59) TAAR1HDAC1HDAC8MAOBPTPN2
SCHEMBL2957360 0.94 HDAC1 (0.57) TAAR1HDAC1HDAC8MAOBPTPN2
SCHEMBL1047276 0.92 HDAC1 (0.56) TAAR1HDAC1HDAC8MAOBPTPN2
SCHEMBL4089161 0.92 HDAC1 (0.56) TAAR1HDAC1HDAC8MAOBPTPN2
SCHEMBL1079525 0.92 HDAC1 (0.56) TAAR1HDAC1HDAC8MAOBPTPN2
SCHEMBL23176839 0.92 HDAC1 (0.56) TAAR1HDAC1HDAC8MAOBPTPN2
SCHEMBL2652908 0.88 MAOB (0.58) TAAR1HDAC1HDAC8MAOBPTPN2
SCHEMBL30357697 0.87 TAAR1 (0.44) TAAR1HDAC1HDAC8MAOBPTPN2
SCHEMBL2652794 0.87 MAOB (0.56) TAAR1HDAC1HDAC8MAOBPTPN2
SCHEMBL2653733 0.87 MAOB (0.56) TAAR1HDAC1HDAC8MAOBPTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250361249-A1 SURFACE TREATMENT AGENT DAIKIN INDUSTRIES, LTD. (JP) 2025-11-27 US disclosed
US-20250353863-A1 TRICYCLIC SPIROLACTAM COMPOUNDS WITH ANTIMYCOBACTERIAL ACTIVITY INST NAT SANTE RECH MED (FR) 2025-11-20 US disclosed
EP-4644398-A1 SURFACE TREATMENT AGENT Daikin Industries, Ltd. (JP) 2025-11-05 EP disclosed
US-12234229-B2 Sphingosine kinase inhibitor amidoxime prodrugs UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2025-02-25 US disclosed
CN-119285657-A Method for synthesizing alkyl borate compound by taking allyl alcohol as substrate 河南大学 2025-01-10 CN disclosed
WO-2024172036-A1 SURFACE TREATMENT AGENT ダイキン工業株式会社 2024-08-22 WO disclosed
CN-113272285-B Oxadiazole-containing compound and pharmaceutical composition containing same 爱思开生物制药株式会社 2024-06-07 CN disclosed
WO-2023237580-A1 TRICYCLIC SPIROLACTAM COMPOUNDS WITH ANTIMYCOBACTERIAL ACTIVITY INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2023-12-14 WO disclosed
US-20230271941-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-31 US disclosed
US-20230271941-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-31 US disclosed
WO-2007122591-A2 PYRAZOLO-TETRAHYDRO PYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2007-11-01 WO disclosed
WO-2007122591-A2 PYRAZOLO-TETRAHYDRO PYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2007-11-01 WO disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
WO-2006112565-A1 THERAPEUTIC DRUGS FOR POLLAKIURIA AND URINARY INCONTINENCE CONTAINING OPTICAL ACTIVE PROPIOPHENON AND ITS SALTS DREAMPHARMA CORP. (KR) 2006-10-26 WO disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
EP-1517881-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES Syngenta Participations AG (CH) 2005-03-30 EP disclosed
WO-2004002943-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-01-08 WO disclosed
US-5760245-A FUNGICIDES J. URIACH & CIA S.A. (ES) 1998-06-02 US disclosed
EP-0801071-A1 LEWIS X DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-10-15 EP 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-12234229-B2 Sphingosine kinase inhibitor amidoxime prodrugs SPHK1, SPHK2, S1PR2 TAAR1 1734/4885HDAC1 1189/4885HDAC8 2288/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 TAAR1 364/4885HDAC1 322/4885HDAC8 993/4885
US-20230271941-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 TAAR1 3009/4885HDAC1 2416/4885HDAC8 1203/4885
US-20250361249-A1 SURFACE TREATMENT AGENT ITGA1, ITGB1, GDI1 TAAR1 417/4885HDAC1 140/4885HDAC8 1056/4885
US-20250353863-A1 TRICYCLIC SPIROLACTAM COMPOUNDS WITH ANTIMYCOBACTERIAL ACTIVITY TALDO1, TBCA, TBCD TAAR1 1526/4885HDAC1 216/4885HDAC8 192/4885

“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.