SCHEMBL988946

SCHEMBL988946

O=C(O)C1(c2ccc(F)cc2)CCC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 2/20 0.62
APP P05067 3/20 0.54
CYP2C19 P33261 3/20 0.54
CYP2C9 P11712 2/20 0.54
CYP3A4 P08684 2/20 0.54
HSD11B1 P28845 6/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TSHR P16473 1/20 0.49
HDAC1 Q13547 1/20 0.47
ALDH1A1 P00352 1/20 0.44
MLYCD O95822 1/20 0.44
IDO1 P14902 1/20 0.43
CYP2D6 P10635 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
LMNA P02545 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
SCHEMBL1421838 0.96 AKR1C1 (0.68) AKR1C1APPCYP2C19CYP2C9CYP3A4
SCHEMBL1807150 0.94 AKR1C1 (0.66) AKR1C1APPCYP2C19CYP2C9CYP3A4
Hydrochloric Acid SCHEMBL28577324 0.94 AKR1C1 (0.66) AKR1C1APPCYP2C19CYP2C9CYP3A4
SCHEMBL301150 0.92 APP (0.61) AKR1C1APPCYP2C19CYP2C9CYP3A4
SCHEMBL12020347 0.84 HSD11B1 (0.48) AKR1C1APPCYP2C19CYP2C9CYP3A4
SCHEMBL17761264 0.83 APP (0.54) AKR1C1APPCYP2C19CYP2C9CYP3A4
SCHEMBL378896 0.83 APP (0.50) AKR1C1APPCYP2C19CYP2C9CYP3A4
SCHEMBL166581 0.83 APP (0.50) AKR1C1APPCYP2C19CYP2C9CYP3A4
SCHEMBL5768239 0.83 CYP2C9 (0.50) AKR1C1APPCYP2C19CYP2C9CYP3A4
SCHEMBL10002400 0.82 LMNA (0.49) AKR1C1HSD11B1MEN1KMT2AHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP claimed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO claimed
US-20250270202-A1 SUBSTITUTED 4-AMINOISOINDOLINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2025-08-28 US disclosed
EP-4545524-A1 SUBSTITUTED 4-AMINOISOINDOLINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2025-04-30 EP disclosed
WO-2025072395-A1 TRIAZOLOPYRIDINYL COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-03 WO disclosed
WO-2023246944-A1 SUBSTITUTED 4-AMINOISOINDOLINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 中国科学院上海药物研究所 2023-12-28 WO disclosed
CN-117285524-A Substituted 4-amino isoindoline compounds, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2023-12-26 CN disclosed
US-20220363662-A1 COMPOUNDS AS LXR AGONISTS Integral Biosciences Privated Limited (IN) 2022-11-17 US disclosed
WO-2022224166-A1 COMPOUNDS AS LXR AGONISTS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-10-27 WO disclosed
CN-113861071-A Synthetic method of aryl cyclobutane compound 上海麦克林生化科技有限公司 2021-12-31 CN disclosed
US-7179802-B2 11-beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2007-02-20 US disclosed
US-7179802-B2 11-beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2007-02-20 US disclosed
WO-2007006546-A1 AMIDE DERIVATIVES AS KINASE INHIBITORS DEVGEN N.V. (BE) 2007-01-18 WO disclosed
CN-1659151-A 11-beta-hydroxysteroid dehydrogenase 1 inhibitors for the treatment of diabetes, obesity and dyslipidemia MERCK & CO INC (US) 2005-08-24 CN disclosed
WO-2003104207-A2 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES, OBESITY AND DYSLIPIDEMIA MERCK & CO., INC. (US) 2003-12-18 WO disclosed
US-6124354-A TREATMENT OF URINARY INCONTINENCE OR IRRITABLE BOWEL SYNDROME PHARMACIA & UPJOHN AB (SE) 2000-09-26 US disclosed
EP-0923536-A1 ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION Pharmacia & Upjohn Aktiebolag (SE) 1999-06-23 EP disclosed
WO-1998004517-A1 ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PHARMACIA & UPJOHN AB (SE) 1998-02-05 WO disclosed
EP-0001566-A2 Cyclobutanecarboxylic acid derivatives, processes for their preparation and their use as insecticides BAYER AG (DE) 1979-05-02 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 (2 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-20250270202-A1 SUBSTITUTED 4-AMINOISOINDOLINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF CUL4B, CUL3, CUL4A AKR1C1 671/4885APP 1267/4885CYP2C19 880/4885
US-20220363662-A1 COMPOUNDS AS LXR AGONISTS NR1H2, NR1H3, NR1H4 AKR1C1 277/4885APP 148/4885CYP2C19 364/4885

“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.