SCHEMBL13647199

SCHEMBL13647199

Cc1ccccc1C(=O)CC(C)C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.55
FEN1 P39748 1/20 0.55
F2R P25116 1/20 0.51
CTNNB1 P35222 3/20 0.47
WNT3A P56704 3/20 0.47
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
GRM2 Q14416 1/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
P2RX7 Q99572 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42

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
SCHEMBL27648478 0.85 F2R (0.46) ERCC5FEN1F2RALDH1A1GRM2
SCHEMBL16313440 0.85 ERCC5 (0.51) ERCC5FEN1F2RCTNNB1WNT3A
SCHEMBL12893248 0.82 F2R (0.58) F2RALDH1A1TSHRHPGDNPC1
SCHEMBL3189240 0.82 KDM4E (0.46) ERCC5FEN1F2RALDH1A1TSHR
SCHEMBL19984928 0.81 ERCC5 (0.51) ERCC5FEN1F2RCTNNB1WNT3A
SCHEMBL15657218 0.81 CTNNB1 (0.53) ERCC5FEN1F2RCTNNB1WNT3A
SCHEMBL776720 0.80 ERCC5 (0.47) ERCC5FEN1F2RCTNNB1WNT3A
SCHEMBL16168319 0.80 KDM4E (0.44) ERCC5FEN1F2RALDH1A1GRM2
SCHEMBL8635130 0.80 ALDH1A1 (0.44) F2RALDH1A1TSHRGRM2HPGD
SCHEMBL13257558 0.80 ALDH1A1 (0.56) ALDH1A1TSHRGRM2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
CN-102548943-B Method for producing cyclohexyl alkyl ketones MITSUBISHI GAS CHEMICAL CO 2014-07-02 CN disclosed
CN-102548943-A Method for producing cyclohexyl alkyl ketones MITSUBISHI GAS CHEMICAL CO 2012-07-04 CN disclosed
US-7601728-B2 Bicyclic pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-10-13 US disclosed
WO-2009101917-A1 BICYCLOAMINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-08-20 WO disclosed
US-20090192129-A1 BICYCLIC PYRROLE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-07-30 US disclosed
US-20090149483-A1 BICYCLIC PYRROLE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-06-11 US disclosed
US-20080318922-A1 Bicyclic Pyrrole Derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-25 US disclosed
US-20070105890-A1 Novel condensed imidazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD 2007-05-10 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 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 (6 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-20070105890-A1 Novel condensed imidazole derivative DPP4, DPP7, DPP3 ERCC5 4609/4885FEN1 3647/4885F2R 600/4885
US-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT ERCC5 4822/4885FEN1 4312/4885F2R 2624/4885
US-20080318922-A1 Bicyclic Pyrrole Derivatives DPP4, DPP7, DPP3 ERCC5 4576/4885FEN1 2504/4885F2R 588/4885
US-20090192129-A1 BICYCLIC PYRROLE DERIVATIVES DPP4, DPP7, DPP3 ERCC5 4672/4885FEN1 2384/4885F2R 658/4885
US-20090149483-A1 BICYCLIC PYRROLE DERIVATIVES DPP4, DPP7, DPP3 ERCC5 4672/4885FEN1 2384/4885F2R 658/4885
US-20070082908-A1 Bicycle pyrazole derivative DPP4, DPP7, DPP3 ERCC5 4293/4885FEN1 3989/4885F2R 807/4885

“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.