SCHEMBL15099655

SCHEMBL15099655

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

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TBK1 Q9UHD2 1/20 0.33
LMNA P02545 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
MAPT P10636 2/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRA6 Q16445 1/20 0.30
ATM Q13315 2/20 0.30

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
SCHEMBL15093678 0.91 PSIP1 (0.36) SMN1; SMN2ALDH1A1LMNAL3MBTL1NPSR1
SCHEMBL15099653 0.83 TBK1 (0.38) SMN1; SMN2ALDH1A1TBK1LMNAL3MBTL1
SCHEMBL15093279 0.82 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL15099650 0.82 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL15099654 0.72 KDM4E (0.35) SMN1; SMN2ALDH1A1LMNAL3MBTL1GAA
SCHEMBL10283942 0.72 PSIP1 (0.34) SMN1; SMN2ALDH1A1LMNAL3MBTL1GAA
SCHEMBL3298653 0.72 PSIP1 (0.34) SMN1; SMN2ALDH1A1LMNAL3MBTL1GAA
SCHEMBL15099649 0.71 MAPT (0.32) SMN1; SMN2L3MBTL1NPSR1MAPT
SCHEMBL15099647 0.71 CYP3A4 (0.37) SMN1; SMN2ALDH1A1LMNAMAPTGABRA2
SCHEMBL1699531 0.71 CYP3A4 (0.37) SMN1; SMN2ALDH1A1LMNAMAPTGABRA2

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