SCHEMBL4135293

SCHEMBL4135293

CCOC(=O)C1CC1c1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
BRD4 O60885 1/20 0.46
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
CXCR2 P25025 1/20 0.44
KDM1A O60341 2/20 0.44
KDM1B Q8NB78 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GPR88 Q9GZN0 1/20 0.43
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL15805113 1.00 TSHR (0.47) TSHRCYP1A2CYP2C19BRD4MAPT
SCHEMBL19354984 1.00 TSHR (0.47) TSHRCYP1A2CYP2C19BRD4MAPT
SCHEMBL19354988 1.00 TSHR (0.47) TSHRCYP1A2CYP2C19BRD4MAPT
SCHEMBL15797889 1.00 TSHR (0.47) TSHRCYP1A2CYP2C19BRD4MAPT
SCHEMBL30636970 0.87 TSHR (0.53) TSHRCYP1A2CYP2C19BRD4MAPT
SCHEMBL30636924 0.87 TSHR (0.53) TSHRCYP1A2CYP2C19BRD4MAPT
SCHEMBL6082005 0.85 TSHR (0.49) TSHRCYP1A2CYP2C19MAPTPKM
SCHEMBL23020812 0.84 TSHR (0.48) TSHRCYP1A2CYP2C19MAPTPKM
SCHEMBL5345772 0.83 KDM1A (0.47) TSHRCYP1A2CYP2C19KDM1AKDM1B
SCHEMBL15541134 0.83 ALDH1A1 (0.48) TSHRMAPTCXCR2KDM4EPOLB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11179710-B2 Direct palladium-catalyzed aromatic fluorination PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-11-23 US disclosed
EP-3426654-B1 DIRECT PALLADIUM-CATALYZED AROMATIC FLUORINATION HARVARD COLLEGE (US) 2021-10-20 EP disclosed
US-20190099748-A1 DIRECT PALLADIUM-CATALYZED AROMATIC FLUORINATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-04-04 US disclosed
EP-2931708-B1 CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF DIVERCHIM (FR) 2017-05-10 EP disclosed
US-9527798-B2 Cyclopropylboronic compounds, preparation process thereof and use thereof DIVERCHIM (FR) 2016-12-27 US disclosed
US-20150329566-A1 CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF DIVERCHIM (FR) 2015-11-19 US disclosed
EP-2931708-A2 CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF Diverchim (FR) 2015-10-21 EP disclosed
WO-2014091167-A2 CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF DIVERCHIM (FR) 2014-06-19 WO disclosed
US-20090203750-A1 5-HT2C Receptor Agonists as Anorectic Agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-13 US disclosed
WO-2007025144-A1 5-HT2C RECEPTOR AGONISTS AS ANORECTIC AGENTS UNIVERSITY OF ILLINOIS - CHICAGO (US) 2007-03-01 WO 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 (4 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-20150329566-A1 CYCLOPROPYLBORONIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF HMBS, MMAB, FDPS TSHR 4655/4885CYP1A2 159/4885CYP2C19 74/4885
US-11179710-B2 Direct palladium-catalyzed aromatic fluorination KRAS, NRAS, DDT TSHR 203/4885CYP1A2 264/4885CYP2C19 109/4885
US-20190099748-A1 DIRECT PALLADIUM-CATALYZED AROMATIC FLUORINATION KRAS, NRAS, DDT TSHR 203/4885CYP1A2 264/4885CYP2C19 109/4885
US-20090203750-A1 5-HT2C Receptor Agonists as Anorectic Agents HTR2C, HTR2A, HTR5A TSHR 362/4885CYP1A2 358/4885CYP2C19 919/4885

“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.