SCHEMBL16548112

SCHEMBL16548112

CCOc1cccc([C@@H](C)NC(C)c2cc(-c3ccc(C)c(C(=O)O)c3)c3ccccc3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ LDHA P00338 1/20 0.42
▸ LDHB P07195 1/20 0.42
▸ PPARG P37231 1/20 0.41
▸ PFKFB3 Q16875 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MCL1 Q07820 2/20 0.39
▸ ACACB O00763 1/20 0.39
▸ ACACA Q13085 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ ACMSD Q8TDX5 1/20 0.38
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ CCKAR P32238 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
Hydrochloric Acid SCHEMBL17939819 0.99 LMNA (0.42) LMNATP53LDHALDHBPPARG
Hydrochloric Acid SCHEMBL17939939 0.99 LMNA (0.42) LMNATP53LDHALDHBPPARG
SCHEMBL17939948 0.91 PFKFB3 (0.40) LMNATP53PPARGPFKFB3ALDH1A1
SCHEMBL16548312 0.91 PFKFB3 (0.40) LMNATP53PPARGPFKFB3ALDH1A1
SCHEMBL17945940 0.91 PTGS2 (0.43) LMNATP53PPARGPFKFB3ALDH1A1
Hydrochloric Acid SCHEMBL17939918 0.90 PTGS2 (0.43) LMNATP53PPARGPFKFB3ALDH1A1
Hydrochloric Acid SCHEMBL16540171 0.90 PTGS2 (0.43) LMNATP53PPARGPFKFB3ALDH1A1
SCHEMBL16548321 0.90 ROCK1 (0.44) LDHALDHBPPARGPFKFB3MCL1
Hydrochloric Acid SCHEMBL16539994 0.89 ROCK1 (0.44) LDHALDHBPPARGPFKFB3MCL1
SCHEMBL16548315 0.88 CASR (0.44) LMNATP53LDHALDHBPPARG

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 LMNA 1996/4885TP53 2561/4885LDHA 4188/4885

“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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