SCHEMBL16548286

SCHEMBL16548286

COC(=O)c1cccc(-c2cc(C=O)cc3ccccc23)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ SLC6A4 P31645 2/20 0.44
▸ SLC6A3 Q01959 2/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MAPT P10636 5/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ MAPK10 P53779 2/20 0.39
▸ MAPK8 P45983 1/20 0.39

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
SCHEMBL16548283 0.88 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDNPSR1SLC6A4
SCHEMBL16548088 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDNPSR1SLC6A4
SCHEMBL16548221 0.80 SLC6A3 (0.46) ALDH1A1KDM4EHPGDNPSR1SLC6A4
SCHEMBL16548285 0.77 ERN1 (0.53) ALDH1A1RAB9A
SCHEMBL29634134 0.77 TSHR (0.53) ALDH1A1KDM4ENPSR1SLC6A4SLC6A3
SCHEMBL19849652 0.77 TSHR (0.53) ALDH1A1KDM4ENPSR1SLC6A4SLC6A3
SCHEMBL16548171 0.76 SLC6A4 (0.45) ALDH1A1KDM4EHPGDNPSR1SLC6A4
SCHEMBL16548241 0.76 SLC6A3 (0.45) ALDH1A1KDM4EHPGDNPSR1SLC6A4
SCHEMBL16548206 0.76 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDNPSR1SLC6A4
SCHEMBL344963 0.76 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDNPSR1SLC6A4

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 ALDH1A1 2694/4885KDM4E 4068/4885HPGD 847/4885

“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.

Send feedback