SCHEMBL16653258

SCHEMBL16653258

Cc1cc2cc(C#CC3CC3)ccc2c(O)c1C(OC(C)(C)C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.36
PSIP1 O75475 1/20 0.35
FFAR1 O14842 1/20 0.33
ALDH2 P05091 1/20 0.32
PTGES O14684 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
SCHEMBL15099757 0.89 TBK1 (0.33) TBK1FFAR1ALDH2
SCHEMBL15093458 0.84 ALDH2 (0.32) PSIP1ALDH2
SCHEMBL15093673 0.83 TBK1 (0.34) TBK1FFAR1PTGES
SCHEMBL15093208 0.79 PSIP1 (0.43) PSIP1
SCHEMBL1699368 0.79 CYP3A4 (0.43) TBK1PSIP1ALDH2
SCHEMBL15093274 0.77 CYP3A4 (0.41) PSIP1
SCHEMBL15093540 0.77 PSIP1 (0.38) PSIP1
SCHEMBL1699460 0.76 CYP3A4 (0.42) PSIP1FFAR1
SCHEMBL15099756 0.75 ALDH2 (0.31) ALDH2
SCHEMBL15093639 0.74 CYP3A4 (0.63) PSIP1

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 TBK1 1541/4885PSIP1 3735/4885FFAR1 650/4885

“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.