SCHEMBL178405

SCHEMBL178405

CC(C)Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.58
CYP3A5 P20815 1/20 0.58
PTPN5 P54829 1/20 0.54
ALDH1A3 P47895 1/20 0.47
KMT2A Q03164 5/20 0.45
SLC6A4 P31645 5/20 0.45
LMNA P02545 5/20 0.45
SLC6A2 P23975 4/20 0.45
SLC6A3 Q01959 4/20 0.45
MEN1 O00255 4/20 0.45
HRH3 Q9Y5N1 2/20 0.45
NPC1 O15118 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
MTOR P42345 2/20 0.45
RAB9A P51151 2/20 0.45
KCNK2 O95069 2/20 0.45
KCNH2 Q12809 2/20 0.45
CACNA1C Q13936 2/20 0.45
HTR2C P28335 2/20 0.45

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
SCHEMBL12204667 0.90 CYP3A4 (0.51) CYP3A4CYP3A5PTPN5ALDH1A3KMT2A
SCHEMBL19888144 0.83 CYP3A4 (0.46) CYP3A4CYP3A5PTPN5KMT2ASLC6A4
SCHEMBL8744339 0.83 CYP3A4 (0.44) CYP3A4CYP3A5PTPN5KMT2ASLC6A4
SCHEMBL17230482 0.82 PRSS1 (0.58) CYP3A4CYP3A5PTPN5KMT2ALMNA
SCHEMBL125543 0.80 ALDH1A3 (0.64) PTPN5ALDH1A3KMT2ALMNAMEN1
SCHEMBL15473214 0.79 SLC6A4 (0.44) CYP3A4CYP3A5KMT2ASLC6A4LMNA
SCHEMBL23706209 0.79 SCN4A (0.45) CYP3A4CYP3A5PTPN5KMT2ASLC6A4
SCHEMBL20563547 0.79 PPARG (0.49) CYP3A4KMT2ASLC6A4LMNASLC6A2
SCHEMBL10934190 0.79 ALDH1A3 (0.48) CYP3A4CYP3A5PTPN5ALDH1A3KMT2A
SCHEMBL799946 0.79 NR1H4 (0.57) CYP3A4CYP3A5PTPN5ALDH1A3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12392042-B2 Alternating current (AC) transition-metal catalysis YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2025-08-19 US disclosed
US-20230407492-A1 ALTERNATING CURRENT (AC) TRANSITION-METAL CATALYSIS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2023-12-21 US disclosed
WO-2023209084-A1 CONDENSED BICYCLIC HETEROAROMATIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2023-11-02 WO disclosed
WO-2023209090-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AND THEIR APPLICATION IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2023-11-02 WO disclosed
EP-4249479-A1 GLUCOSIDE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Beijing Increase Innovative Drug Co., Ltd. (CN) 2023-09-27 EP disclosed
US-20230276701-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMISSION DEVICE OSAKA UNIVERSITY (JP) 2023-08-31 US disclosed
US-20230276701-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMISSION DEVICE OSAKA UNIVERSITY (JP) 2023-08-31 US disclosed
EP-4214355-A1 ALTERNATING CURRENT (AC) TRANSITION-METAL CATALYSIS Yeda Research and Development Co. Ltd (IL) 2023-07-26 EP disclosed
US-11664093-B2 Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-05-30 US disclosed
CN-116113728-A Alternating Current (AC) transition metal catalysis 耶达研究与发展有限公司 2023-05-12 CN disclosed
WO-2002059129-A2 SUBSTITUTED TETRACYCLIC PYRIDOINDOLES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-01 WO disclosed
US-5401768-A Prostaglandin derivative, antiulcer, hypotensive, anticoagulant TORAY INDUSTRIES, INC. (JP) 1995-03-28 US disclosed
EP-0365678-B1 2,5,6,7-TETRANOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND USE THEREOF TORAY INDUSTRIES (JP) 1994-01-05 EP disclosed
EP-0389162-B1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES (JP) 1993-12-08 EP disclosed
US-5086071-A Improved chemical stability and ppotent in vivo TORAY INDUSTRIES, INC. (JP) 1992-02-04 US disclosed
EP-0232776-B1 2,5,6,7-TETRANOR-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1990-10-24 EP disclosed
EP-0389162-A1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1990-09-26 EP disclosed
EP-0365678-A1 2,5,6,7-TETRANOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1990-05-02 EP disclosed
US-4775692-A ANTILIPEMIC, ANTICOAGULANT, HYPOTENSIVE, ANTISECRETORY AND ANTIULCER AGENT TORAY INDUSTRIES, INC. (JP) 1988-10-04 US disclosed
EP-0232776-A2 2,5,6,7-tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1987-08-19 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 (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-20230276701-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMISSION DEVICE ESR1, ECE1, ESYT1 CYP3A4 1179/4885CYP3A5 3892/4885PTPN5 4437/4885

“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.