SCHEMBL2084002

SCHEMBL2084002

CCCCCCC(=O)c1cc(OC)cc(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 6/20 0.53
STS P08842 4/20 0.50
PLA2G2A P14555 1/20 0.50
HDAC8 Q9BY41 2/20 0.49
HDAC1 Q13547 2/20 0.49
CNR1 P21554 2/20 0.48
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL1038708 0.93 HSD17B3 (0.50) HSD17B3STSPLA2G2AHDAC8HDAC1
SCHEMBL17694477 0.91 HSD17B3 (0.47) HSD17B3STSPLA2G2AHDAC8HDAC1
SCHEMBL5279741 0.86 PDE4B (0.63) HDAC8HDAC1
SCHEMBL15338421 0.84 ALDH1A1 (0.44) HSD17B3STSTHRATHRB
SCHEMBL7315752 0.84 THRA (0.60) HDAC8HDAC1THRATHRB
SCHEMBL10736335 0.84 THRA (0.60) HDAC8HDAC1THRATHRB
SCHEMBL4884718 0.84 THRA (0.60) HDAC8HDAC1THRATHRB
SCHEMBL12016810 0.83 HDAC8 (0.69) HSD17B3STSHDAC8HDAC1
SCHEMBL9520347 0.83 HDAC8 (0.69) HSD17B3STSHDAC8HDAC1
SCHEMBL9045542 0.83 HDAC8 (0.69) HSD17B3STSHDAC8HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11964956-B2 Cannabinergic compounds and uses thereof NORTHEASTERN UNIVERSITY (US) 2024-04-23 US disclosed
US-20210101878-A1 Cannabinergic Compounds And Uses Thereof NORTHEASTERN UNIVERSITY 2021-04-08 US disclosed
US-20210101878-A1 Cannabinergic Compounds And Uses Thereof NORTHEASTERN UNIVERSITY 2021-04-08 US disclosed
US-10882838-B2 Cannabinergic compounds and uses thereof NORTHEASTERN UNIVERSITY (US) 2021-01-05 US disclosed
US-10882838-B2 Cannabinergic compounds and uses thereof NORTHEASTERN UNIVERSITY (US) 2021-01-05 US disclosed
US-20190185443-A1 Novel Cannabinergic Compounds And Uses Thereof NORTHEASTERN UNIVERSITY 2019-06-20 US disclosed
US-20190185443-A1 Novel Cannabinergic Compounds And Uses Thereof NORTHEASTERN UNIVERSITY 2019-06-20 US disclosed
US-20160108016-A1 Novel Cannabinergic Compounds and Uses Thereof NORTHEASTERN UNIVERSITY (US) 2016-04-21 US disclosed
US-20160108016-A1 Novel Cannabinergic Compounds and Uses Thereof NORTHEASTERN UNIVERSITY (US) 2016-04-21 US disclosed
WO-2014039042-A1 NOVEL CANNABINERGIC COMPOUNDS AND USES THEREOF NORTHEASTERN UNIVERSITY (US) 2014-03-13 WO disclosed
WO-2014039042-A1 NOVEL CANNABINERGIC COMPOUNDS AND USES THEREOF NORTHEASTERN UNIVERSITY (US) 2014-03-13 WO disclosed
US-7863313-B2 Methods for the treatment of inflammatory diseases CORTICAL PTY LTD (AU) 2011-01-04 US disclosed
US-20100324001-A1 Novel Methods for the Treatment of Inflammatory Diseases CORTICAL PTY LTD (AU) 2010-12-23 US disclosed
EP-1611120-A4 NOVEL METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES CORTICAL PTY LTD (AU) 2008-04-23 EP disclosed
US-20070010563-A1 Novel methods for the treatment of inflammatory diseases CORTICAL PTY LTD (AU) 2007-01-11 US disclosed
EP-1611120-A1 NOVEL METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES Cortical Pty Ltd (AU) 2006-01-04 EP disclosed
WO-2004089927-A1 NOVEL METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES CORTICAL PTY LTD (AU) 2004-10-21 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 (7 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-11964956-B2 Cannabinergic compounds and uses thereof CNR2, CNR1, GPR18 HSD17B3 2795/4885STS 4801/4885PLA2G2A 1745/4885
US-20190185443-A1 Novel Cannabinergic Compounds And Uses Thereof CNR2, CNR1, GPR18 HSD17B3 2957/4885STS 4845/4885PLA2G2A 1667/4885
US-10882838-B2 Cannabinergic compounds and uses thereof CNR2, CNR1, GPR18 HSD17B3 2795/4885STS 4801/4885PLA2G2A 1745/4885
US-20070010563-A1 Novel methods for the treatment of inflammatory diseases MIF, CCL2, CCL11 HSD17B3 610/4885STS 1528/4885PLA2G2A 1439/4885
US-20100324001-A1 Novel Methods for the Treatment of Inflammatory Diseases MIF, CCL2, CCL11 HSD17B3 610/4885STS 1528/4885PLA2G2A 1439/4885
US-20210101878-A1 Cannabinergic Compounds And Uses Thereof CNR2, CNR1, GPR18 HSD17B3 2795/4885STS 4801/4885PLA2G2A 1745/4885
US-20160108016-A1 Novel Cannabinergic Compounds and Uses Thereof CNR2, CNR1, GPR18 HSD17B3 2957/4885STS 4845/4885PLA2G2A 1667/4885

“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.