SCHEMBL14767623

SCHEMBL14767623

CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCc1cocc1C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
CYP3A4 P08684 2/20 0.44
ALOX15 P16050 2/20 0.44
ALDH1A1 P00352 1/20 0.44
UGT1A1 P22309 1/20 0.44
SQLE Q14534 5/20 0.44
MAOB P27338 3/20 0.43
APP P05067 2/20 0.43
PTPN1 P18031 1/20 0.43
BACE1 P56817 1/20 0.43
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL14767595 0.83 KMT2A (0.47) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL14768438 0.75 KMT2A (0.48) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL3822078 0.73 BACE1 (0.64) KMT2AMAOBAPPPTPN1BACE1
SCHEMBL3822074 0.73 BACE1 (0.64) KMT2AMAOBAPPPTPN1BACE1
SCHEMBL31508572 0.72 HIF1A (0.59) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL11886113 0.72 HIF1A (0.59) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL14767652 0.72 HIF1A (0.59) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL3825335 0.70 PTPN1 (0.51) KMT2AMAOBAPPPTPN1BACE1
Squalene SCHEMBL27795631 0.69 KMT2A (0.65) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL3084555 0.69 KMT2A (0.53) KMT2AMAPTMEN1CYP3A4ALOX15

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-9371301-B2 Prenylarene compound and use thereof OSAKA UNIVERSITY (JP) 2016-06-21 US disclosed
US-9371301-B2 Prenylarene compound and use thereof OSAKA UNIVERSITY (JP) 2016-06-21 US disclosed
US-20130065937-A1 NOVEL PRENYLARENE COMPOUND AND USE THEREOF OSAKA UNIVERSITY (JP) 2013-03-14 US disclosed
US-20130065937-A1 NOVEL PRENYLARENE COMPOUND AND USE THEREOF OSAKA UNIVERSITY (JP) 2013-03-14 US disclosed
EP-2567956-A1 NOVEL PRENYLARENE COMPOUND AND USE THEREOF Osaka University (JP) 2013-03-13 EP 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-20130065937-A1 NOVEL PRENYLARENE COMPOUND AND USE THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NR1H3, HIF1AN KMT2A 1404/4885MAPT 4854/4885MEN1 1655/4885

“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.