SCHEMBL15280209

SCHEMBL15280209

COc1cc(C)ccc1OC1CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.63
SYK P43405 1/20 0.50
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.47
L3MBTL1 Q9Y468 4/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 2/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX12 P18054 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PDE4A P27815 2/20 0.44
RECQL P46063 1/20 0.43

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
SCHEMBL10196348 0.93 ACHE (0.55) ACHESYKALDH1A1CYP3A4L3MBTL1
SCHEMBL16440160 0.93 ACHE (0.59) ACHESYKALDH1A1CYP3A4POLB
SCHEMBL2907378 0.93 ACHE (0.59) ACHESYKPOLBNPC1RAB9A
SCHEMBL10196687 0.91 ACHE (0.57) ACHESYKMEN1POLBKMT2A
SCHEMBL23410206 0.88 ACHE (0.53) ACHESYKPDE4B
SCHEMBL10196382 0.88 SYK (0.67) ACHESYKPDE4APDE4BPDE4C
SCHEMBL12180743 0.87 ACHE (0.52) ACHESYKALDH1A1CYP3A4L3MBTL1
SCHEMBL10196595 0.87 ACHE (0.52) ACHESYKPOLB
SCHEMBL10196086 0.85 ACHE (0.50) ACHESYKALDH1A1CYP3A4L3MBTL1
SCHEMBL6873641 0.85 PDE4A (0.60) ACHEALDH1A1CYP3A4MAPTMAPK1

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-20150210696-A1 PROTEIN KINASE INHIBITORS GB005, INC. 2015-07-30 US disclosed
US-20150065504-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2015-03-05 US disclosed
WO-2015026792-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. (US) 2015-02-26 WO disclosed
WO-2013137479-A1 DECAHYDROQUINOXALINE DERIVATIVES AND ANALOGS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-09-19 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 (2 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-20150210696-A1 PROTEIN KINASE INHIBITORS PDGFRA, PDGFRB, KDR ACHE 4883/4885SYK 452/4885ALDH1A1 3309/4885
US-20150065504-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 ACHE 4278/4885SYK 3825/4885ALDH1A1 4011/4885

“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.