SCHEMBL16657239

SCHEMBL16657239

CC(=O)C(OC(C)(C)C)c1c(C)cc2ccccc2c1-c1ccc2c3c(ccnc13)CCO2

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.70
▸ SSTR4 P31391 1/20 0.31
▸ MAPK14 Q16539 3/20 0.30
▸ NR1I2 O75469 1/20 0.30
▸ PSIP1 O75475 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
SCHEMBL15165108 1.00 CYP3A4 (0.70) CYP3A4SSTR4MAPK14NR1I2PSIP1
SCHEMBL1699253 0.94 CYP3A4 (0.80) CYP3A4MAPK14NR1I2PSIP1
SCHEMBL1699485 0.94 CYP3A4 (0.80) CYP3A4MAPK14NR1I2PSIP1
SCHEMBL1699486 0.94 CYP3A4 (0.80) CYP3A4MAPK14NR1I2PSIP1
SCHEMBL10272000 0.91 CYP3A4 (0.67) CYP3A4MAPK14
SCHEMBL15165193 0.91 CYP3A4 (0.62) CYP3A4PSIP1
SCHEMBL16657200 0.91 CYP3A4 (0.62) CYP3A4PSIP1
SCHEMBL16657166 0.91 CYP3A4 (0.62) CYP3A4PSIP1
SCHEMBL16657140 0.90 CYP3A4 (0.65) CYP3A4
SCHEMBL16657204 0.90 CYP3A4 (0.65) CYP3A4

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-9284323-B2 Naphthalene acetic acid derivatives against HIV infection GILEAD SCIENCES, INC. (US) 2016-03-15 — — US disclosed
US-20150111891-A1 NAPHTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION GILEAD SCIENCES, INC. (US) 2015-04-23 — — 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-20150111891-A1 NAPHTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION NFATC1, ACIN1, NAAA CYP3A4 1722/4885SSTR4 4819/4885MAPK14 2034/4885

“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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