SCHEMBL16657252

SCHEMBL16657252

CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2c(C)cccc2c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.39
CCR6 P51684 2/20 0.37
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36
CASP9 P55211 1/20 0.36
GAA P10253 4/20 0.34
KMT2A Q03164 3/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 3/20 0.34
TSHR P16473 2/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL15099685 0.90 ADORA3 (0.37) ADORA3CCR6CASP3CASP7CASP9
SCHEMBL15093245 0.86 PSIP1 (0.38) HPGDALDH1A1KDM4E
SCHEMBL1699658 0.85 ADORA3 (0.42) ADORA3CCR6CASP3CASP7CASP9
SCHEMBL15099683 0.83 HPGD (0.32) ADORA3GAAKMT2AHPGDALDH1A1
SCHEMBL1699293 0.81 CYP3A4 (0.37) KMT2AHPGDALDH1A1L3MBTL1MEN1
SCHEMBL15099654 0.80 KDM4E (0.35) ADORA3GAAKMT2AHPGDALDH1A1
SCHEMBL16657253 0.80 MAPT (0.33) CCR6KMT2AHPGDMEN1MAPT
SCHEMBL1699756 0.78 ADORA3 (0.42) ADORA3CCR6CASP3CASP7CASP9
SCHEMBL1699692 0.78 ADORA3 (0.42) ADORA3CCR6CASP3CASP7CASP9
SCHEMBL1699637 0.78 ALDH1A1 (0.37) GAAKMT2AHPGDALDH1A1MEN1

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 ADORA3 182/4885CCR6 993/4885CASP3 458/4885

“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.