SCHEMBL986535

SCHEMBL986535

CC1(C)CC(=O)C=C(C(=O)Cl)O1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
HCAR3 P49019 2/20 0.32
HCAR2 Q8TDS4 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
CYP1A2 P05177 1/20 0.30

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
SCHEMBL2113918 0.83 HCAR2 (0.45) HCAR3HCAR2CYP1A2
SCHEMBL15478105 0.83 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL2258560 0.81 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL31263237 0.75 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL6814719 0.70 KMT2A (0.37) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL12519883 0.67 LMNA (0.37) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL7529634 0.65 MEN1 (0.34) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL12445270 0.65 ALDH1A1 (0.32) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL7529638 0.65 ALDH1A1 (0.33) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL5880765 0.60 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EKMT2ALMNA

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0440329-A1 S-substituted carbonyl substituted betathioacrylamide biocides and fungicides ROHM AND HAAS COMPANY (US) 1991-08-07 EP claimed
US-8835475-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-09-16 US disclosed
US-8501794-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2013-08-06 US disclosed
US-8481574-B2 (2Z)-2-(3-butyl-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene)-1-(5-chloro-2-methoxyphenyl)ethanone; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBOTT LABORATORIES (US) 2013-07-09 US disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7985768-B2 2-carbonylamino-4,6-dihydrothieno[2,3-c]furans such as ethyl 2-{[2-fluoro-6-(trifluoromethyl)benzoyl]amino}-4-methyl-4,6-dihydrothieno[2,3-c]furan-3-carboxylate; CB2 receptors ligands for immune and inflammatory conditions; pain; neuroprotectants ABBOTT LABORATORIES (US) 2011-07-26 US disclosed
EP-2344463-A2 1,2 -THIAZOL YL DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2011-07-20 EP disclosed
US-20110082116-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-04-07 US disclosed
US-7872033-B2 N-[(5Z)-4-butyl-2-tert-butylisothiazol-5(2H)-ylidene]-5-chloro-2-methoxybenzamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBOTT LABORATORIES (US) 2011-01-18 US disclosed
EP-2146973-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-01-27 EP disclosed
US-20090023789-A1 N-[(5Z)-4-butyl-2-tert-butylisothiazol-5(2H)-ylidene]-5-chloro-2-methoxybenzamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBOTT LABORATORIES (US) 2009-01-22 US disclosed
WO-2008130953-A2 2-IMIN0IS0THIAZ0LE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-10-30 WO disclosed
US-20080255123-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-10-16 US disclosed
WO-2008063781-A2 CHEMICAL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-05-29 WO disclosed
WO-2008028094-A1 COMPOUNDS AS CB2 CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-03-06 WO disclosed
US-20080058308-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-03-06 US disclosed
US-5300672-A For water systems, plant diseases ROHM AND HAAS COMPANY (US) 1994-04-05 US disclosed
US-5166390-A Bactericides ROHM AND HAAS COMPANY (US) 1992-11-24 US disclosed
EP-0440329-A1 S-substituted carbonyl substituted betathioacrylamide biocides and fungicides ROHM AND HAAS COMPANY (US) 1991-08-07 EP 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-20090023789-A1 N-[(5Z)-4-butyl-2-tert-butylisothiazol-5(2H)-ylidene]-5-chloro-2-methoxybenzamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants CNR2, CNR1, TBXA2R ALDH1A1 1737/4885MAPT 3161/4885KDM4E 2641/4885
US-20080255123-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 ALDH1A1 1179/4885MAPT 1588/4885KDM4E 1754/4885
US-20080058308-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, OPRL1 ALDH1A1 1497/4885MAPT 1751/4885KDM4E 1554/4885
US-20110082116-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 ALDH1A1 1465/4885MAPT 2290/4885KDM4E 1749/4885

“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.