SCHEMBL6232699

SCHEMBL6232699

CC(C)(C)C(=O)C(F)Oc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ADORA3 P0DMS8 1/20 0.51
CHRM1 P11229 1/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
ADRA1A P35348 1/20 0.51
SLC6A3 Q01959 1/20 0.51
PPARA Q07869 10/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
ELANE P08246 1/20 0.45
PPARG P37231 8/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL11512996 0.82 CYP3A4 (0.54) CYP3A4MEN1KMT2AADORA3CHRM1
SCHEMBL10834165 0.82 ATM (0.41) MEN1KMT2ACYP1A2CYP2C19MAPT
SCHEMBL10460335 0.81 CYP3A4 (0.56) CYP3A4MEN1KMT2AADORA3CHRM1
SCHEMBL10001177 0.81 CYP1A2 (0.53) CYP3A4MEN1KMT2AADORA3CHRM1
SCHEMBL11512566 0.81 CYP3A4 (0.52) CYP3A4MEN1KMT2AADORA3CHRM1
SCHEMBL11216882 0.80 CYP1A2 (0.54) PPARACYP1A2CYP2C19MAPTPPARG
SCHEMBL8496952 0.79 CYP3A4 (0.51) CYP3A4MEN1KMT2AADORA3CHRM1
SCHEMBL28032996 0.78 PPARG (0.54) PPARAPPARG
SCHEMBL11806845 0.77 PPARA (0.50) CYP3A4MEN1KMT2AADORA3CHRM1
SCHEMBL11854999 0.77 CYP3A4 (0.52) CYP3A4MEN1KMT2AADORA3CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114890951-A Synthesis method of Ganbaosu 山东汉峰新材料科技有限公司 2022-08-12 CN disclosed
US-20050107454-A1 Process for the purification of climbazole SYMRISE GMBH & CO. KG. 2005-05-19 US disclosed
EP-1531152-A1 Process for purification of climbazol Symrise GmbH & Co. KG (DE) 2005-05-18 EP disclosed
EP-0112292-B1 PLANT-GROWTH REGULATING AND MICROBICIDAL AGENTS CIBA-GEIGY AG (CH) 1987-07-29 EP disclosed
US-4610716-A PLANT GROWTH REGULATORS, FUNGICIDES CIBA-GEIGY CORPORATION (US) 1986-09-09 US disclosed
EP-0112292-A1 Plant-growth regulating and microbicidal agents CIBA-GEIGY AG (CH) 1984-06-27 EP disclosed
EP-0046532-B1 3,3-DIMETHYL-1-FLUORO-1-PHENOXY-2-BUTANONES(OLS), PROCESS FOR THEIR PREPARATION AND THEIR USE BAYER AG (DE) 1983-09-14 EP disclosed
EP-0046532-A1 3,3-Dimethyl-1-fluoro-1-phenoxy-2-butanones(ols), process for their preparation and their use BAYER AG (DE) 1982-03-03 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-20050107454-A1 Process for the purification of climbazole CA7, CYP3A7, CYP51A1 CYP3A4 39/4885MEN1 3081/4885KMT2A 3751/4885

“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.