SCHEMBL6269261

SCHEMBL6269261

CCOC(=O)CC1CCC(C)(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
TRPA1 O75762 1/20 0.38
ALDH1A1 P00352 1/20 0.38
EPHX2 P34913 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 2/20 0.35
ALOX15 P16050 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
UGT2B7 P16662 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL23934301 0.93 TDP1 (0.38) MGAMGAASIMGAM2ALDH1A1
SCHEMBL15798547 0.86 GAA (0.44) MGAMGAASIMGAM2TRPA1
SCHEMBL2721040 0.84
SCHEMBL2778453 0.84 TRPA1 (0.41) MGAMGAASIMGAM2TRPA1
SCHEMBL24791075 0.82 FFAR4 (0.38) MGAMGAASIMGAM2TRPA1
SCHEMBL3307079 0.82 MGAM (0.38) MGAMGAASIMGAM2TRPA1
SCHEMBL1837169 0.81 BRD4 (0.42) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1881523 0.80 ALDH1A1 (0.46) MGAMGAASIMGAM2TRPA1
SCHEMBL1439129 0.80 TDP1 (0.48) MGAMGAASIMGAM2TRPA1
SCHEMBL169393 0.80 ALDH1A1 (0.42) MGAMGAASIMGAM2TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3880163-A1 USE OF 1-ETHYL-4,4-DIMETHYL-CYCLOHEXANE DERIVATIVES AS FRAGRANCES Symrise AG (DE) 2021-09-22 EP claimed
EP-3880163-A1 USE OF 1-ETHYL-4,4-DIMETHYL-CYCLOHEXANE DERIVATIVES AS FRAGRANCES Symrise AG (DE) 2021-09-22 EP disclosed
CN-112969444-A Use of 1-ethyl-4, 4-dimethylcyclohexane derivatives as fragrance substances 西姆莱斯有限公司 2021-06-15 CN disclosed
US-9546138-B2 Pyridone derivatives and uses thereof in the treatment of tuberculosis NOVARTIS AG (CH) 2017-01-17 US disclosed
US-9546138-B2 Pyridone derivatives and uses thereof in the treatment of tuberculosis NOVARTIS AG (CH) 2017-01-17 US disclosed
US-9546138-B2 Pyridone derivatives and uses thereof in the treatment of tuberculosis NOVARTIS AG (CH) 2017-01-17 US disclosed
EP-2931716-B1 PYRIDONE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF TUBERCULOSIS NOVARTIS AG (CH) 2016-11-02 EP disclosed
EP-2931716-B1 PYRIDONE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF TUBERCULOSIS NOVARTIS AG (CH) 2016-11-02 EP disclosed
EP-2931716-A1 PYRIDONE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF TUBERCULOSIS Novartis AG (CH) 2015-10-21 EP disclosed
US-20150291526-A1 PYRIDONE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF TUBERCULOSIS NOVARTIS AG (CH) 2015-10-15 US disclosed
CN-104837827-A Pyridone derivatives and their use in the treatment of tuberculosis NOVARTIS AG 2015-08-12 CN disclosed
WO-2014093606-A1 PYRIDONE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF TUBERCULOSIS NOVARTIS AG (CH) 2014-06-19 WO disclosed
WO-2014093606-A1 PYRIDONE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF TUBERCULOSIS NOVARTIS AG (CH) 2014-06-19 WO disclosed
EP-1606244-A2 CYCLOALKYLAMIDES AND THEIR THERAPEUTIC USE AS ANTIEPILEPTIC AND ANTICONVULSANT Abbott Laboratories (US) 2005-12-21 EP disclosed
EP-1077940-B1 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER (US) 2004-07-14 EP disclosed
WO-2004037769-A2 CYCLOALKYLAMIDES AND THEIR THERAPEUTIC USE AS ANTIEPILEPTIC AND ANTICONVULSANT ABBOTT LABORATORIES (US) 2004-05-06 WO disclosed
US-6610711-B2 4-phenylpiperidines for the treatment of pruritic dermatoses PFIZER INC. 2003-08-26 US disclosed
US-20030078282-A1 Novel 4-phenylpiperidines for the treatment of pruritic dermatoses PFIZER INC. 2003-04-24 US disclosed
EP-1077940-A1 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER INC. (US) 2001-02-28 EP disclosed
WO-1999059971-A1 NOVEL 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER INC. (US) 1999-11-25 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 (2 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-20150291526-A1 PYRIDONE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF TUBERCULOSIS COASY, PLPBP, ACSS2 MGAM 937/4885GAA 1619/4885SI 3303/4885
US-20030078282-A1 Novel 4-phenylpiperidines for the treatment of pruritic dermatoses HRH2, HRH4, HRH1 MGAM 4395/4885GAA 1464/4885SI 4196/4885

“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.