SCHEMBL15099685

SCHEMBL15099685

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.37
F2R P25116 1/20 0.34
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34
CASP9 P55211 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
PRNP P04156 1/20 0.34
GAA P10253 3/20 0.33
MAPT P10636 3/20 0.33
TSHR P16473 2/20 0.33
ALOX5 P09917 3/20 0.33
CCR6 P51684 2/20 0.33
PTGES O14684 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32

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
SCHEMBL16657252 0.90 ADORA3 (0.39) ADORA3CASP3CASP7CASP9RXFP1
SCHEMBL15093269 0.87 PSIP1 (0.36) KMT2AMEN1PRNPMCL1
SCHEMBL16657251 0.84 GAA (0.31) ADORA3KMT2AGAAMAPTTSHR
SCHEMBL1699658 0.82 ADORA3 (0.42) ADORA3CASP3CASP7CASP9KMT2A
SCHEMBL1699295 0.82 CYP3A4 (0.35) KMT2AMEN1GAAMAPTTSHR
SCHEMBL15099684 0.81 MAPT (0.32) MAPTHTT
SCHEMBL1699756 0.80 ADORA3 (0.42) ADORA3CASP3CASP7CASP9KMT2A
SCHEMBL15099653 0.80 TBK1 (0.38) ADORA3RXFP1MAPTALDH1A1L3MBTL1
SCHEMBL15099654 0.77 KDM4E (0.35) ADORA3RXFP1KMT2AMEN1GAA
SCHEMBL15093245 0.76 PSIP1 (0.38) ALDH1A1HPGDHTTKDM4E

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 ADORA3 182/4885F2R 2517/4885CASP3 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.