SCHEMBL16539732

SCHEMBL16539732

Cc1ccc(-c2cc(C=O)cc3ccccc23)cc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 5/20 0.48
▸ ACMSD Q8TDX5 2/20 0.48
▸ XDH P47989 1/20 0.44
▸ SLC22A12 Q96S37 1/20 0.44
▸ PTGER4 P35408 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ PTGER2 P43116 1/20 0.38
▸ DHODH Q02127 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MPI P34949 1/20 0.37
▸ LDHA P00338 1/20 0.36
▸ LDHB P07195 1/20 0.36
▸ NR4A1 P22736 1/20 0.36
▸ NR4A2 P43354 1/20 0.36
▸ NR4A3 Q92570 1/20 0.36

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
SCHEMBL16548221 0.86 SLC6A3 (0.46) MCL1ACMSDPTGER4KDM4EALDH1A1
SCHEMBL17945069 0.77 MEN1 (0.55) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL16548171 0.76 SLC6A4 (0.45) MCL1ACMSDKDM4EALDH1A1HPGD
SCHEMBL16548241 0.76 SLC6A3 (0.45) MCL1ACMSDKDM4EALDH1A1HPGD
SCHEMBL16548206 0.76 ALDH1A1 (0.47) KDM4EALDH1A1HPGDDHODHMEN1
SCHEMBL8389680 0.76 NR4A1 (0.53) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL16548172 0.75 SLC6A3 (0.47) MCL1ACMSDKDM4EALDH1A1HPGD
SCHEMBL10024283 0.73 MCL1 (0.61) MCL1ACMSDPTGER4LDHA
SCHEMBL16548287 0.72 CDC25B (0.47) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL16548146 0.72 PPARG (0.41) MCL1ACMSDSLC22A12KDM4EALDH1A1

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 4 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-20160214924-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2016-07-28 — — US disclosed
EP-3039014-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS Lupin Atlantis Holdings SA (CH) 2016-07-06 — — EP 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 MCL1 3897/4885ACMSD 2552/4885XDH 1734/4885

“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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