SCHEMBL17968950

SCHEMBL17968950

CCC1CCC(c2ccc(C(C)=O)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.56
▸ ALDH1A1 P00352 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ ESR2 Q92731 8/20 0.43
▸ ESR1 P03372 6/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HAO1 Q9UJM8 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ DGAT1 O75907 1/20 0.38

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
SCHEMBL17834401 1.00 CYP2C9 (0.56) CYP2C9ALDH1A1LMNAMAPTKMT2A
SCHEMBL10762673 0.95 CYP2C9 (0.52) CYP2C9ALDH1A1LMNAMAPTKMT2A
SCHEMBL10762666 0.95 CYP2C9 (0.52) CYP2C9ALDH1A1LMNAMAPTKMT2A
SCHEMBL10762675 0.95 CYP2C9 (0.52) CYP2C9ALDH1A1LMNAMAPTKMT2A
SCHEMBL3222423 0.87 HDAC8 (0.50) CYP2C9ALDH1A1LMNAMAPTKMT2A
SCHEMBL9512356 0.87 CYP2C9 (0.75) CYP2C9ALDH1A1LMNAMAPTKMT2A
SCHEMBL9512365 0.87 CYP2C9 (0.75) CYP2C9ALDH1A1LMNAMAPTKMT2A
SCHEMBL8220664 0.86 CYP2C9 (0.56) CYP2C9ALDH1A1LMNAMAPTKMT2A
SCHEMBL10784907 0.86 CYP2C9 (0.56) CYP2C9ALDH1A1LMNAMAPTKMT2A
SCHEMBL29044866 0.85 CYP2C9 (0.55) CYP2C9ALDH1A1LMNAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116535303-B Method for synthesizing 4- (4-alkyl cyclohexyl) aryl ketone by replacing dichloroethane with methylcyclohexane 山东齐阳光电科技有限公司 2023-09-05 — — CN disclosed
CN-116535303-A Method for synthesizing 4- (4-alkyl cyclohexyl) aryl ketone by replacing dichloroethane with methylcyclohexane 山东齐阳光电科技有限公司 2023-08-04 — — CN disclosed
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 — — EP disclosed
US-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 — — US disclosed
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2018-01-25 — — US disclosed
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 — — US disclosed
US-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2016-08-11 — — 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 (3 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-20160228450-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R CYP2C9 2863/4885ALDH1A1 4770/4885LMNA 2192/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R CYP2C9 2863/4885ALDH1A1 4770/4885LMNA 2192/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR CYP2C9 2291/4885ALDH1A1 4737/4885LMNA 1558/4885

“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.

Send feedback