SCHEMBL695872

SCHEMBL695872

Fc1cc(-c2cc[c]cc2)cc(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 6/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 1/20 0.31
PTGS2 P35354 1/20 0.30

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
SCHEMBL17108385 0.81 ANPEP (0.42) ANPEPCES2CES1ESR1ESR2
SCHEMBL533709 0.78 CYP11B1 (0.46) CES2CES1
SCHEMBL1525706 0.78 CES2 (0.45) ANPEPCES2CES1ESR1ESR2
SCHEMBL534148 0.77 NOTUM (0.35) ESR2
SCHEMBL9646722 0.76 ALDH1A1 (0.33)
SCHEMBL2872756 0.75
SCHEMBL1510357 0.74 AKR1C2 (0.43) AKR1C2AKR1C1
SCHEMBL27637511 0.74 SLC6A4 (0.33) ESR1ESR2
SCHEMBL196583 0.74 ALDH1A1 (0.33)
SCHEMBL3006080 0.74 ALDH1A1 (0.50) ANPEPAKR1C2AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117603088-A Aromatic aldehyde Schiff base based on amino acid ethyl ester and application thereof in asymmetric alkylation 广东工业大学 2024-02-27 CN claimed
CN-114768866-B Chiral deuterated Maruoka phase transfer catalyst, preparation method thereof and application thereof in asymmetric catalytic reaction 广东工业大学 2023-10-17 CN claimed
CN-114768866-A Chiral deuterated Maruoka phase transfer catalyst, preparation method thereof and application thereof in asymmetric catalytic reaction 广东工业大学 2022-07-22 CN claimed
EP-3558975-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 EP claimed
US-8362001-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US claimed
EP-2421848-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-30 US claimed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
CN-117603088-A Aromatic aldehyde Schiff base based on amino acid ethyl ester and application thereof in asymmetric alkylation 广东工业大学 2024-02-27 CN disclosed
CN-114768866-B Chiral deuterated Maruoka phase transfer catalyst, preparation method thereof and application thereof in asymmetric catalytic reaction 广东工业大学 2023-10-17 CN disclosed
CN-114768866-A Chiral deuterated Maruoka phase transfer catalyst, preparation method thereof and application thereof in asymmetric catalytic reaction 广东工业大学 2022-07-22 CN disclosed
CN-107141313-A Transparent oxide electrode and its production method that surface modifier, surface for transparent oxide electrode are modified 信越化学工业株式会社 2017-09-08 CN disclosed
CN-105601917-A Soluble polyimide, and preparation method thereof JIANGSU MO OPTO-ELECTRONIC MAT CO LTD 2016-05-25 CN disclosed
CN-103848859-A Surface modifier for transparent oxide electrode, surface-modified transparent oxide electrode, and method for producing same SHINETSU CHEMICAL CO 2014-06-11 CN disclosed
US-8362001-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US disclosed
EP-2421848-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-30 US disclosed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
EP-0929508-B1 LIQUID CRYSTALLINE (E,E)-BUTADIENE COMPOUNDS AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS QINETIQ LTD (GB) 2002-03-20 EP disclosed
US-6333082-B1 USEFUL IN SUPER TWISTED NEMATIC LIQUID CRYSTAL DISPLAYS QINETIQ LTD (GB) 2001-12-25 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 (1 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-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA ANPEP 482/4885CES2 39/4885CES1 21/4885

“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.