SCHEMBL4570709

SCHEMBL4570709

COc1cc(O)cc(C(C)(C)CCC=C(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.43
EPAS1 Q99814 2/20 0.43
BACE1 P56817 1/20 0.41
ALOX5 P09917 2/20 0.38
PTGES O14684 1/20 0.38
PTGS2 P35354 2/20 0.37
TTR P02766 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
CNR1 P21554 5/20 0.36
CNR2 P34972 5/20 0.36
CYP3A4 P08684 2/20 0.36
TRPV1 Q8NER1 2/20 0.36
CALM1 P0DP23 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4567337 0.81 ALOX15 (0.40) HIF1AEPAS1BACE1ALOX5CNR1
SCHEMBL10655490 0.81 BACE1 (0.40) BACE1ALOX5PTGS2TTRCYP1A1
SCHEMBL10655486 0.81 BACE1 (0.40) BACE1ALOX5PTGS2TTRCYP1A1
SCHEMBL3693693 0.74 CNR2 (0.45) BACE1PTGS2CNR1CNR2
SCHEMBL10653170 0.74 CNR1 (0.61) PTGS2CNR1CNR2
SCHEMBL309760 0.70 GABRA1 (0.65) BACE1ALOX5PTGS2TTRCYP1A1
SCHEMBL31545824 0.68 GABRA1 (0.40) HIF1AEPAS1BACE1CNR1CNR2
SCHEMBL29890062 0.68 RXRA (0.45) BACE1ALOX5PTGS2TTRCYP1A1
SCHEMBL17129735 0.68 ALDH1A1 (0.46) PTGS2CYP1A1CYP1B1CNR1CNR2
SCHEMBL5788396 0.68 RXRA (0.45) BACE1ALOX5PTGS2TTRCYP1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9173867-B2 Treatment of immune dysregulation using cannabinoid derivatives IMMUGEN PHARMACEUTICALS, INC. (US) 2015-11-03 US disclosed
US-20140066497-A1 TREATMENT OF IMMUNE DYSREGULATION USING CANNABINOID DERIVATIVES IMMUGEN PHARMACEUTICALS, INC. 2014-03-06 US disclosed
US-20120289589-A1 Treatment Of Immune Dysregulation Using Cannabinoid Derivatives TRAVIS CRAIG RICK (US) 2012-11-15 US disclosed
US-20120122917-A1 Method For Treatment Of HIV And Diseases Of Immune Dysregulation TRAVIS CRAIG RICK (US) 2012-05-17 US disclosed
US-20080108647-A1 Treatment of HIV and diseases of immune dysregulation TRAVIS CRAIG R 2008-05-08 US disclosed
US-20070179135-A1 Cannabinoid derivatives TRAVIS CRAIG R 2007-08-02 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 (5 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-20140066497-A1 TREATMENT OF IMMUNE DYSREGULATION USING CANNABINOID DERIVATIVES CNR2, CNR1, GPR18 HIF1A 1207/4885EPAS1 1857/4885BACE1 1796/4885
US-20120289589-A1 Treatment Of Immune Dysregulation Using Cannabinoid Derivatives CNR2, CNR1, GPR18 HIF1A 1207/4885EPAS1 1857/4885BACE1 1796/4885
US-20120122917-A1 Method For Treatment Of HIV And Diseases Of Immune Dysregulation CNR2, CNR1, ICOS HIF1A 1357/4885EPAS1 2505/4885BACE1 1156/4885
US-20070179135-A1 Cannabinoid derivatives CNR2, CNR1, GPR18 HIF1A 1606/4885EPAS1 2311/4885BACE1 1121/4885
US-20080108647-A1 Treatment of HIV and diseases of immune dysregulation CNR1, CNR2, ICOS HIF1A 1129/4885EPAS1 1989/4885BACE1 1118/4885

“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.