SCHEMBL15099653

SCHEMBL15099653

CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2cc(Br)ccc2c1O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRB2 P47870 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ATM Q13315 2/20 0.33
MAPT P10636 1/20 0.33
ADORA3 P0DMS8 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
SCHEMBL15099654 0.88 KDM4E (0.35) ALDH1A1SMN1; SMN2LMNAL3MBTL1RXFP1
SCHEMBL15093540 0.87 PSIP1 (0.38) ALDH1A1SMN1; SMN2LMNAL3MBTL1RXFP1
SCHEMBL15099740 0.86 ALDH1A1 (0.36) ALDH1A1MAPT
SCHEMBL1699658 0.85 ADORA3 (0.42) ALDH1A1SMN1; SMN2L3MBTL1MAPTADORA3
SCHEMBL15093489 0.83 ALDH1A1 (0.39) TBK1ALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL16657255 0.83 ALDH1A1 (0.39) TBK1ALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL15099655 0.83 SMN1; SMN2 (0.34) TBK1ALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL15093279 0.81 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2LMNAL3MBTL1MAPT
SCHEMBL15099650 0.81 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2LMNAL3MBTL1MAPT
SCHEMBL1699637 0.80 ALDH1A1 (0.37) ALDH1A1MAPT

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

“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.