SCHEMBL11227110

SCHEMBL11227110

CCOC(=O)C(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SCN1A P35498 3/20 0.51
SCN2A Q99250 3/20 0.51
SCN3A Q9NY46 3/20 0.51
TSHR P16473 1/20 0.50
ALDH1A1 P00352 6/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
BCAT2 O15382 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
DHODH Q02127 1/20 0.46
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CHRNB2 P17787 2/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
CHRNA4 P43681 2/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL28462587 0.84 HDAC7 (0.56) LMNAMEN1KMT2ATSHRALDH1A1
SCHEMBL28485719 0.84 SLC6A3 (0.50) LMNAMEN1KMT2ATSHRALDH1A1
SCHEMBL15709514 0.84 LMNA (0.55) LMNAMEN1KMT2ASCN1ASCN2A
SCHEMBL396552 0.83 TSHR (0.69) LMNAMEN1KMT2ASCN1ASCN2A
SCHEMBL25552709 0.82 ALDH1A1 (0.50) LMNAMEN1KMT2ASCN1ASCN2A
Bicarbonate SCHEMBL27449726 0.81 TSHR (0.67) LMNAMEN1KMT2ASCN1ASCN2A
SCHEMBL27652123 0.81 LMNA (0.43) LMNAMEN1KMT2ASCN1ASCN2A
SCHEMBL27686802 0.80 TSHR (0.65) LMNAMEN1KMT2ASCN1ASCN2A
SCHEMBL29117765 0.80 LMNA (0.50) LMNAMEN1KMT2ASCN1ASCN2A
SCHEMBL1190834 0.79 TSHR (0.57) LMNAMEN1KMT2ATSHRALDH1A1

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 29 patents — showing the first 20. 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-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-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-20110039874-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2011-02-17 US disclosed
US-20090306016-A1 FATTY ACID AMIDE HYDROLASE INHIBITORS UNIVERSITY OF CONNECTICUT 2009-12-10 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
US-4150148-A NITROSUBSTITUTED WILLIAM H. RORER, INC. (US) 1979-04-17 US disclosed
US-4120889-A Cyano ethynylbenzene compounds WILLIAM H. RORER, INC. (US) 1978-10-17 US disclosed
US-4120885-A Ethynylbenzene compounds and derivatives thereof WILLIAM H. RORER, INC. (US) 1978-10-17 US disclosed
US-4105786-A ANTIINFLAMMATORY WILLIAM H. RORER, INC. (US) 1978-08-08 US disclosed
US-4101591-A Ethynylbenzene compounds and derivatives thereof WILLIAM H. RORER, INC. (US) 1978-07-18 US disclosed
US-4094995-A ETHYNYLBENZENE COMPOUNDS AND DERIVATIVES THEREOF TO TREAT PAIN, FEVER AND INFLAMMATION WILLIAM H. RORER, INC. (US) 1978-06-13 US disclosed
US-4093737-A Ethynylbenzene compounds and derivatives thereof in the treatment of pain, fever or inflammation WILLIAM H. RORER, INC. (US) 1978-06-06 US disclosed
US-4075354-A ETHYNYLBENZENE COMPOUNDS AND DERIVATIVES THEREOF FOR TREATING PAIN FEVER AND INFLAMMATION WILLIAM H. RORER, INC. (US) 1978-02-21 US disclosed
US-3981932-A Ethynylbenzene compounds and derivatives thereof WILLIAM H. RORER, INC. (US) 1976-09-21 US disclosed
US-3941821-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETICS WILLIAM H. RORER, INC. (US) 1976-03-02 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 (3 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 LMNA 2518/4885MEN1 4192/4885KMT2A 1984/4885
US-20090306016-A1 FATTY ACID AMIDE HYDROLASE INHIBITORS FAAH, FAAH2, CNR2 LMNA 4375/4885MEN1 4877/4885KMT2A 2854/4885
US-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity FAAH, FAAH2, CNR2 LMNA 2779/4885MEN1 4638/4885KMT2A 2153/4885

“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.