SCHEMBL16548146

SCHEMBL16548146

CC(C)(C(=O)O)c1cccc(-c2cc(C=O)cc3ccccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.41
▸ PPARA Q07869 3/20 0.41
▸ MAP4K4 O95819 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MPI P34949 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PPARD Q03181 1/20 0.38
▸ SLC22A12 Q96S37 2/20 0.38
▸ PTGDR Q13258 1/20 0.37
▸ SGK1 O00141 2/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ ACMSD Q8TDX5 1/20 0.35
▸ CYP26B1 Q9NR63 2/20 0.35
▸ CYP26A1 O43174 1/20 0.35

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
SCHEMBL16548139 0.81 CYP1A1 (0.43) KDM4EALDH1A1HPGDMCL1
SCHEMBL17945069 0.78 MEN1 (0.55) KDM4EALDH1A1MEN1MAPTHPGD
SCHEMBL16548284 0.75 CNR1 (0.41) PPARGPPARAKDM4EALDH1A1MEN1
SCHEMBL16548285 0.74 ERN1 (0.53) ALDH1A1
SCHEMBL17950761 0.73 KDM4E (0.36) KDM4EALDH1A1MEN1MAPTHPGD
SCHEMBL16539732 0.72 MCL1 (0.48) KDM4EALDH1A1MEN1MAPTHPGD
Hydrochloric Acid SCHEMBL16539955 0.71 KDM4E (0.47) KDM4EALDH1A1MEN1KMT2APTGDR
SCHEMBL16548331 0.70 GPR84 (0.42) PPARGPPARAMEN1MAPTKMT2A
SCHEMBL16539622 0.70 KIF11 (0.41) KDM4EALDH1A1MEN1MAPTHPGD
SCHEMBL6756235 0.69 ANPEP (0.42) KDM4EALDH1A1MEN1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493396-B2 Substituted naphthalene compounds as calcium sensing receptor modulators LUPIN ATLANTIS HOLDINGS SA (CH) 2016-11-15 — — US disclosed
US-9493396-B2 Substituted naphthalene compounds as calcium sensing receptor modulators LUPIN ATLANTIS HOLDINGS SA (CH) 2016-11-15 — — US disclosed
US-20160214924-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2016-07-28 — — US disclosed
US-20160214924-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2016-07-28 — — US disclosed
WO-2015028938-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2015-03-05 — — 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 (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-20160214924-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS CASR, RYR2, RYR1 PPARG 876/4885PPARA 941/4885MAP4K4 2840/4885

“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.

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