SCHEMBL12827005

SCHEMBL12827005

CCCCOc1cccc(-c2cccc(C=O)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.55
TLR2 O60603 1/20 0.55
CYP1A2 P05177 1/20 0.51
CYP19A1 P11511 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ERN1 O75460 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
NR1H4 Q96RI1 1/20 0.48
MAOA P21397 5/20 0.48
MAOB P27338 5/20 0.48
DHODH Q02127 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL30409096 0.91 TLR4 (0.64) TLR4TLR2NPC1RAB9ATDP1
SCHEMBL510596 0.91 TLR4 (0.64) TLR4TLR2NPC1RAB9ATDP1
SCHEMBL13618270 0.90 DRD1 (0.55) TLR4TLR2CYP1A2CYP19A1CYP2C9
SCHEMBL17583600 0.86 RXRA (0.55) NPC1RAB9ATDP1SMN1; SMN2MAOA
SCHEMBL2205487 0.86 TLR4 (0.58) TLR4TLR2NPC1RAB9ATDP1
SCHEMBL14195860 0.85 DRD1 (0.54) TLR4TLR2CYP1A2CYP19A1CYP2C9
SCHEMBL197506 0.85 CYP19A1 (0.64) TLR4TLR2CYP1A2CYP19A1CYP2C9
SCHEMBL4572160 0.85 TLR4 (0.58) TLR4TLR2NPC1RAB9ATDP1
SCHEMBL12279317 0.85 TLR4 (0.58) TLR4TLR2NPC1RAB9ATDP1
SCHEMBL17583676 0.85 MAOA (0.48) ERN1NPC1RAB9ATDP1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102622-B2 Fatty acid amide hydrolase inhibitors UNIVERSITY OF CONNECTICUT (US) 2015-08-11 US disclosed
US-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity NORTHEASTERN UNIVERSITY (US) 2011-03-24 US disclosed
US-20110039874-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2011-02-17 US disclosed
US-20100234379-A1 Dual modulation of endocannabinoid transport and fatty-acid amide hydrolase for treatment of excitotoxicity CONNECTICUT, UNIVERSITY OF 2010-09-16 US disclosed
US-20090306016-A1 FATTY ACID AMIDE HYDROLASE INHIBITORS UNIVERSITY OF CONNECTICUT 2009-12-10 US disclosed
WO-2009052320-A1 METHODS AND COMPOUNDS FOR MODULATING CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2009-04-23 WO disclosed
WO-2009052319-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2009-04-23 WO disclosed
WO-2008013963-A2 FATTY ACID AMIDE HYDROLASE INHIBITORS UNIVERSITY OF CONNECTICUT (US) 2008-01-31 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 (4 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-20110039874-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY MGLL, FAAH, FAAH2 TLR4 3848/4885TLR2 4004/4885CYP1A2 1467/4885
US-20090306016-A1 FATTY ACID AMIDE HYDROLASE INHIBITORS FAAH, FAAH2, CNR2 TLR4 3185/4885TLR2 3867/4885CYP1A2 311/4885
US-20100234379-A1 Dual modulation of endocannabinoid transport and fatty-acid amide hydrolase for treatment of excitotoxicity FAAH, FAAH2, CNR2 TLR4 2868/4885TLR2 2296/4885CYP1A2 2211/4885
US-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity FAAH, FAAH2, CNR2 TLR4 2802/4885TLR2 3085/4885CYP1A2 1651/4885

“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.