SCHEMBL15099648

SCHEMBL15099648

CCOC(=O)[C@@H](O)c1c(C)cc2ccc(Br)cc2c1-c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
DHODH Q02127 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35
CYP19A1 P11511 1/20 0.35
AKR1B10 O60218 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
ALPL P05186 1/20 0.34
TARBP2 Q15633 1/20 0.34

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
SCHEMBL1699639 1.00 HTT (0.39) HTTALDH1A1LMNAMAPTTDP1
SCHEMBL1699649 0.91 PTGDR2 (0.43) ALDH1A1LMNAMAPTTDP1PTGDR2
SCHEMBL1699531 0.85 CYP3A4 (0.37) HTTALDH1A1LMNAMAPTTDP1
SCHEMBL15099647 0.85 CYP3A4 (0.37) HTTALDH1A1LMNAMAPTTDP1
SCHEMBL1701440 0.83 ALDH1A1 (0.42) ALDH1A1LMNAMAPTTDP1GABRA2
SCHEMBL15165286 0.82 MAPT (0.39) ALDH1A1LMNAMAPTTDP1GABRA2
SCHEMBL15093746 0.81 ALDH1A1 (0.41) ALDH1A1LMNAMAPTGABRB2SMN1; SMN2
SCHEMBL1699400 0.80 KDM4E (0.41) HTTALDH1A1LMNAMAPTTDP1
SCHEMBL1699564 0.79 HTT (0.42) HTTALDH1A1GABRA2GABRB2PTGDR2
SCHEMBL15342329 0.79 MAPT (0.39) HTTALDH1A1LMNAMAPTTDP1

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
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 HTT 1606/4885ALDH1A1 114/4885LMNA 2505/4885

“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.