SCHEMBL1048378

SCHEMBL1048378

Cc1c(N)ccc(C=CC=O)c1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.38
CCND1 P24385 3/20 0.38
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
PIK3CA P42336 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TRPA1 O75762 1/20 0.34
LMNA P02545 1/20 0.34
ALOX5 P09917 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32

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
SCHEMBL2523223 0.92 CDK4 (0.32) CDK4CCND1CYP3A4TSHRPIK3CA
SCHEMBL77591 0.79 TSHR (0.40) CYP3A4TSHRPIK3CAALDH1A1LMNA
Hydrochloric Acid SCHEMBL28280347 0.77 CYP3A4 (0.39) CYP3A4TSHRPIK3CAALDH1A1LMNA
SCHEMBL5964838 0.74 MAOB (0.48) CYP3A4TSHRPIK3CAALDH1A1TRPA1
SCHEMBL5451938 0.73 XDH (0.44) CDK4CCND1TSHRALDH1A1TRPA1
SCHEMBL5479284 0.72 CDK4 (0.35) CDK4CCND1ALDH1A1TRPA1LMNA
SCHEMBL9033292 0.71 CYP19A1 (0.47) MAPT
SCHEMBL27589735 0.71 CYP19A1 (0.47) ALDH1A1TRPA1ALOX5KDM4E
SCHEMBL6846966 0.71 CDK4 (0.34) CDK4CCND1CYP3A4TSHRALDH1A1
SCHEMBL7258077 0.71 ALDH1A1 (0.45) CDK4CCND1CYP3A4TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993253-B2 Protease detection MOLOGIC LTD (GB) 2015-03-31 US claimed
US-8361386-B2 Enzyme detection MOLOGIC LTD (GB) 2013-01-29 US claimed
EP-2205681-B1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION OREAL (FR) 2011-08-31 EP claimed
US-7214248-B1 Multi-component kit and method for temporarily dyeing and later decolorizing hair WELLA AG (DE) 2007-05-08 US claimed
EP-1227786-B1 AGENT FOR DYEING FIBRES COMPRISING AN INDOLINE/INDOLIUM DERIVATIVE WELLA AG (DE) 2005-08-24 EP claimed
US-6652601-B2 For dyeing and subsequently decolorizing fibers such as keratin fibers WELLA AKTIENGESELLSCHAFT (DE) 2003-11-25 US claimed
US-5565328-A COLORIMETRIC ANALYSIS WITH FLUOROMETRIC READER USING SUITABLE FLUOROPHORE DADE INTERNATIONAL INC. (US) 1996-10-15 US claimed
CN-116577310-A Viscosity detection method and application thereof 山东第一医科大学(山东省医学科学院) 2023-08-11 CN disclosed
CN-114354523-A Rapid comparison method for content of procyanidine in radix tetrastigme leaves of different provenances 杭州市农业科学研究院 2022-04-15 CN disclosed
EP-3004236-B1 COLOR-STABLE THERMOPLASTIC COMPOSITION SABIC GLOBAL TECHNOLOGIES BV (NL) 2018-07-18 EP disclosed
US-9708465-B2 Color-stable thermoplastic composition SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-07-18 US disclosed
EP-3004236-A1 COLOR-STABLE THERMOPLASTIC COMPOSITION SABIC Global Technologies B.V. (NL) 2016-04-13 EP disclosed
US-20140357768-A1 COLOR-STABLE THERMOPLASTIC COMPOSITION SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2014-12-04 US disclosed
WO-2009040354-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION L'OREAL (FR) 2009-04-02 WO disclosed
CN-100457050-C Diagnostic test device and method of using same KIMBERLY CLARK CO (US) 2009-02-04 CN disclosed
WO-2008140452-A1 NOVEL HYDRAZONE-BASED AND OXIME-BASED FLUORESCENT AND CHROMOPHORIC/PRO-FLUORESCENT AND PRO-CHROMOPHORIC REAGENTS AND LINKERS SOLULINK, INC. (US) 2008-11-20 WO disclosed
US-20080221343-A1 Labeled biomolecules of chromophore or the fluorophore incorporated into the linker between a reactive linking moiety and a biotin molecule; proteins, nucleic acids AUDAX PRIVATE DEBT LLC, AS AGENT 2008-09-11 US disclosed
WO-2008104680-A2 MEDIUM FOR DETECTING AND/OR IDENTIFYING BACTERIA bioMérieux (FR) 2008-09-04 WO disclosed
CN-1870943-A Diagnostic test device and method of using same KIMBERLY CLARK CO (US) 2006-11-29 CN disclosed
US-7026336-B1 4-pyridinylimidazol-2-ylhydrocarbyl amine, (thio)urea, carbamic acid or sulfonamide derivatives, e.g., (2-(4-(4-Chloro-3-methoxy-phenyl)-5-pyridin-4-yl-1H-imidazol-2-yl)-2-methyl-propyl)-carbamic acid tert-butyl ester; Raf kinase inhibitors for the treatment of neurotraumatic diseases SMITHKLINE BEECHAM P.L.C. (GB) 2006-04-11 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-20080221343-A1 Labeled biomolecules of chromophore or the fluorophore incorporated into the linker between a reactive linking moiety and a biotin molecule; proteins, nucleic acids RRP12, MRPS22, HBG2 CDK4 1655/4885CCND1 745/4885CYP3A4 3091/4885

“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.