SCHEMBL1236015

SCHEMBL1236015

CCCCCc1cc(O)c2c(-c3cc(Cl)cc(Cl)c3)coc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CNR2 P34972 6/20 0.40
CNR1 P21554 5/20 0.40
SIRT1 Q96EB6 1/20 0.39
MAPT P10636 1/20 0.39
PTGS2 P35354 3/20 0.39
CYP3A4 P08684 1/20 0.39
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EGFR P00533 2/20 0.37
ABL1 P00519 1/20 0.37
ABL2 P42684 1/20 0.37

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
SCHEMBL1236130 0.84 CNR1 (0.47) ALDH1A1HTTTP53GAATSHR
SCHEMBL1235021 0.83 PTGS2 (0.49) ALDH1A1HTTTP53GAATSHR
SCHEMBL1236647 0.80 ABCB1 (0.52) ALDH1A1HTTTP53GAATSHR
SCHEMBL1237481 0.78 CNR2 (0.49) CNR2CNR1
SCHEMBL1234583 0.75 ALDH1A1 (0.46) ALDH1A1HTTTP53GAATSHR
SCHEMBL1236073 0.73 CNR2 (0.54) ALDH1A1HTTTP53GAATSHR
SCHEMBL14402466 0.69 PTGS2 (0.56) ALDH1A1HTTTP53PTGS2CYP3A4
SCHEMBL23923849 0.69 ALDH1A1 (0.56) ALDH1A1HTTTP53GAATSHR
SCHEMBL27522778 0.68 PTGS2 (0.61) ALDH1A1HTTTP53TSHRMAPT
SCHEMBL10441595 0.67 PTGS2 (0.57) ALDH1A1TP53PTGS2CYP3A4EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476309-B2 Benzofuran cannabinoid compounds and related methods of use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-07-02 US claimed
US-20110046175-A1 BENZOFURAN CANNABINOID COMPOUNDS AND RELATED METHODS OF USE THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2011-02-24 US claimed
WO-2011022679-A2 BENZOFURAN CANNABINOID COMPOUNDS AND RELATED METHODS OF USE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, THE (US) 2011-02-24 WO claimed
US-8476309-B2 Benzofuran cannabinoid compounds and related methods of use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-07-02 US disclosed
US-8476309-B2 Benzofuran cannabinoid compounds and related methods of use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-07-02 US disclosed
US-8476309-B2 Benzofuran cannabinoid compounds and related methods of use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-07-02 US disclosed
US-20110046175-A1 BENZOFURAN CANNABINOID COMPOUNDS AND RELATED METHODS OF USE THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2011-02-24 US disclosed
US-20110046175-A1 BENZOFURAN CANNABINOID COMPOUNDS AND RELATED METHODS OF USE THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2011-02-24 US disclosed
US-20110046175-A1 BENZOFURAN CANNABINOID COMPOUNDS AND RELATED METHODS OF USE THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2011-02-24 US disclosed
WO-2011022679-A2 BENZOFURAN CANNABINOID COMPOUNDS AND RELATED METHODS OF USE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, THE (US) 2011-02-24 WO disclosed
WO-2011022679-A2 BENZOFURAN CANNABINOID COMPOUNDS AND RELATED METHODS OF USE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, THE (US) 2011-02-24 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-20110046175-A1 BENZOFURAN CANNABINOID COMPOUNDS AND RELATED METHODS OF USE CNR1, CNR2, GPR18 ALDH1A1 576/4885HTT 4525/4885TP53 4847/4885

“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.