SCHEMBL15099672

SCHEMBL15099672

CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)c(C)c2ccccc2c1-c1ccc2c3c(ccnc13)CCO2

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.67
▸ MAPK14 Q16539 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ CLK1 P49759 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL16657261 0.94 CYP3A4 (0.69) CYP3A4MAPK14NPC1CLK1RAB9A
SCHEMBL10271810 0.93 CYP3A4 (0.64) CYP3A4MAPK14NPC1CLK1RAB9A
SCHEMBL10271808 0.93 CYP3A4 (0.64) CYP3A4MAPK14NPC1CLK1RAB9A
SCHEMBL15093513 0.93 CYP3A4 (0.68) CYP3A4MAPK14
SCHEMBL15093515 0.93 CYP3A4 (0.68) CYP3A4MAPK14
SCHEMBL16657129 0.91 CYP3A4 (0.69) CYP3A4
SCHEMBL15093206 0.91 CYP3A4 (0.79) CYP3A4MAPK14
SCHEMBL16657188 0.91 CYP3A4 (0.69) CYP3A4
SCHEMBL15093270 0.91 CYP3A4 (0.79) CYP3A4MAPK14
SCHEMBL15093207 0.91 CYP3A4 (0.79) CYP3A4MAPK14

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-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
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 1722/4885MAPK14 2034/4885NPC1 47/4885

“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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