SCHEMBL16657255

SCHEMBL16657255

CCOC(=O)C(O)c1c(C)cc2cc(Br)ccc2c1O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TBK1 Q9UHD2 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRB2 P47870 1/20 0.36
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 3/20 0.35
CTRC Q99895 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL15093489 1.00 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TBK1ADORA3MAPT
SCHEMBL15165301 0.90 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TBK1MAPTGABRA1
SCHEMBL15093746 0.90 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TBK1ADORA3MAPT
SCHEMBL15093506 0.86 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2ADORA3LMNAL3MBTL1
SCHEMBL15099653 0.83 TBK1 (0.38) ALDH1A1SMN1; SMN2TBK1ADORA3MAPT
SCHEMBL1699748 0.82 ADORA3 (0.47) ALDH1A1SMN1; SMN2ADORA3MAPTPOLB
SCHEMBL15099758 0.79 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2MAPTATMNPSR1
SCHEMBL15093724 0.79 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2MAPTATMNPSR1
SCHEMBL16657257 0.79 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2MAPTATMNPSR1
SCHEMBL1699428 0.77 MAPT (0.39) ALDH1A1SMN1; SMN2TBK1MAPTPOLB

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 5 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-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
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 ALDH1A1 114/4885SMN1; SMN2 2614/4885TBK1 1541/4885

“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.