SCHEMBL15099783

SCHEMBL15099783

Cc1ccc2cc(C)c(C(OC(C)(C)C)C(=O)O)c(-c3ccc4c5c(ccnc35)CCO4)c2c1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.71
▸ PSIP1 O75475 1/20 0.40
▸ NR1I2 O75469 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31

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
SCHEMBL15093554 1.00 CYP3A4 (0.71) CYP3A4PSIP1NR1I2KDM4EALDH1A1
SCHEMBL16657166 0.94 CYP3A4 (0.62) CYP3A4PSIP1
SCHEMBL1699622 0.94 CYP3A4 (0.71) CYP3A4PSIP1NR1I2MAPK14
SCHEMBL15093285 0.94 CYP3A4 (0.71) CYP3A4PSIP1NR1I2MAPK14
SCHEMBL15093284 0.94 CYP3A4 (0.71) CYP3A4PSIP1NR1I2MAPK14
SCHEMBL16657200 0.94 CYP3A4 (0.62) CYP3A4PSIP1
SCHEMBL15153827 0.92 CYP3A4 (0.69) CYP3A4PSIP1NR1I2
SCHEMBL1699752 0.92 CYP3A4 (0.69) CYP3A4PSIP1NR1I2
SCHEMBL15153872 0.92 CYP3A4 (0.69) CYP3A4PSIP1NR1I2MAPK14
SCHEMBL10271799 0.92 CYP3A4 (0.69) CYP3A4PSIP1NR1I2MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150111891-A1 NAPHTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION GILEAD SCIENCES, INC. (US) 2015-04-23 — — US disclosed
WO-2013103738-A1 NAPTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION GILEAD SCIENCES, INC. (US) 2013-07-11 — — 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-20150111891-A1 NAPHTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION NFATC1, ACIN1, NAAA CYP3A4 1722/4885PSIP1 3735/4885NR1I2 1125/4885

“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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