SCHEMBL5750952

SCHEMBL5750952

COc1ccc2cc(C(=O)c3c[nH]cn3)ccc2c1C(C)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.34
NSD2 O96028 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
IGFBP3 P17936 1/20 0.32
GAA P10253 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30

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
SCHEMBL7816606 0.79 PPARG (0.38) APAF1NSD2CASP3SENP8SENP7
SCHEMBL5752322 0.79 L3MBTL1 (0.41) APAF1NSD2CASP3SENP8SENP7
SCHEMBL5751865 0.78 SIRT2 (0.33) APAF1NSD2CASP3SENP8SENP7
SCHEMBL5749686 0.77 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19
SCHEMBL5750575 0.77 L3MBTL1 (0.41) APAF1NSD2CASP3SENP8SENP7
SCHEMBL7810175 0.74 CYP3A4 (0.39) CYP3A4CYP2C9CYP2C19
SCHEMBL5753752 0.74 L3MBTL1 (0.39) APAF1NSD2CASP3SENP8SENP7
SCHEMBL5678124 0.74 CYP1A2 (0.44) APAF1NSD2CASP3SENP8SENP7
SCHEMBL5752176 0.73 LMNA (0.42) L3MBTL1TSHR
SCHEMBL5678286 0.70 KDM4E (0.53) CYP1A2CYP3A4CYP2C19

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-7084149-B2 Naphthalene derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-01 US disclosed
EP-1073640-B1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL (JP) 2005-04-13 EP disclosed
US-20030236274-A1 Naphthalene derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-25 US disclosed
US-6573289-B1 Naphthalene derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-06-03 US 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-20030236274-A1 Naphthalene derivatives, their production and use CYP17A1, CYP21A2, HSD17B1 APAF1 1921/4885NSD2 693/4885CASP3 1025/4885

“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.