SCHEMBL16657261

SCHEMBL16657261

CCOC(=O)[C@@H](OC(C)(C)C)c1c(-c2ccc3c4c(ccnc24)CCO3)c2ccccc2c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.69
▸ MAPK14 Q16539 5/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ CLK1 P49759 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ AURKA O14965 1/20 0.30
▸ RPS6KB1 P23443 1/20 0.30
▸ EDNRA P25101 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ CARM1 Q86X55 1/20 0.30
▸ PREP P48147 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
SCHEMBL15099672 0.94 CYP3A4 (0.67) CYP3A4MAPK14NPC1CLK1RAB9A
SCHEMBL10271810 0.91 CYP3A4 (0.64) CYP3A4MAPK14NPC1CLK1RAB9A
SCHEMBL10271808 0.91 CYP3A4 (0.64) CYP3A4MAPK14NPC1CLK1RAB9A
SCHEMBL15099807 0.91 CYP3A4 (0.63) CYP3A4NPC1CLK1RAB9AALDH1A1
SCHEMBL10272000 0.91 CYP3A4 (0.67) CYP3A4MAPK14NPC1CLK1RAB9A
SCHEMBL15093484 0.90 CYP3A4 (0.80) CYP3A4MAPK14NPC1RAB9AEDNRA
SCHEMBL16657209 0.90 CYP3A4 (0.70) CYP3A4MAPK14AURKARPS6KB1EDNRA
SCHEMBL16657157 0.90 CYP3A4 (0.70) CYP3A4MAPK14AURKARPS6KB1EDNRA
SCHEMBL15093483 0.90 CYP3A4 (0.80) CYP3A4MAPK14NPC1RAB9AEDNRA
SCHEMBL15093247 0.90 CYP3A4 (0.80) CYP3A4MAPK14NPC1RAB9AEDNRA

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 3 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

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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