SCHEMBL15723960

SCHEMBL15723960

CC(C)c1ncccc1-c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
GAA P10253 1/20 0.46
CYP3A4 P08684 1/20 0.43
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.41
IKBKE Q14164 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
HTR2C P28335 2/20 0.40
BCHE P06276 2/20 0.40
LMNA P02545 1/20 0.40
ACHE P22303 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
CYP11B1 P15538 1/20 0.40

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
SCHEMBL20365107 0.83 IKBKE (0.57) KDM4ECYP3A4IKBKETBK1HTR2C
SCHEMBL15723926 0.83 KCNA5 (0.49) CYP3A4IKBKETBK1HTR2CCYP11B1
SCHEMBL20371605 0.82 KDM4E (0.47) MAPTKDM4E
SCHEMBL1102399 0.79 LMNA (0.59) MAPTALDH1A1HSD17B10CYP3A4NPC1
SCHEMBL31732807 0.79 LMNA (0.59) MAPTALDH1A1HSD17B10CYP3A4NPC1
SCHEMBL30021128 0.79 PPARG (0.42) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL15723930 0.78 CYP11B2 (0.40) MAPTKDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL21033795 0.78 CYP2A6 (0.57) MAPTKDM4EALDH1A1HPGDHSD17B10
Iodide SCHEMBL10722209 0.77 LMNA (0.58) MAPTALDH1A1HSD17B10CYP3A4NPC1
SCHEMBL22015704 0.76 CYP3A4 (0.62) MAPTKDM4EALDH1A1HPGDHSD17B10

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-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 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 (3 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-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN MAPT 1399/4885KDM4E 1590/4885ALDH1A1 649/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MAPT 1399/4885KDM4E 1590/4885ALDH1A1 649/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MAPT 1399/4885KDM4E 1590/4885ALDH1A1 649/4885

“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.