SCHEMBL14770340

SCHEMBL14770340

CC(C)(C)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 12/20 0.60
RXRA P19793 10/20 0.60
RXRB P28702 9/20 0.60
RXRG P48443 6/20 0.60
NR4A1 P22736 3/20 0.60
NR4A3 Q92570 3/20 0.60
KDM4E B2RXH2 1/20 0.60
ABCC4 O15439 1/20 0.60
C5 P01031 1/20 0.60
LMNA P02545 1/20 0.60
CHRM2 P08172 1/20 0.60
CYP3A4 P08684 1/20 0.60
CHRM1 P11229 1/20 0.60
DRD2 P14416 1/20 0.60
HPGD P15428 1/20 0.60
TSHR P16473 1/20 0.60
TBXA2R P21731 1/20 0.60
PTGS1 P23219 1/20 0.60
HTR2A P28223 1/20 0.60
HTR2C P28335 1/20 0.60

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
SCHEMBL14867495 0.85 NR4A2 (0.73) NR4A2RXRARXRBRXRGNR4A1
SCHEMBL13391166 0.84 NR4A2 (0.58) NR4A2RXRARXRBRXRGNR4A1
SCHEMBL13653143 0.82 NR4A2 (0.65) NR4A2RXRARXRBRXRGNR4A1
SCHEMBL28240013 0.81 NR4A2 (0.50) NR4A2RXRARXRBRXRGNR4A1
SCHEMBL14773995 0.79 NR4A2 (0.67) NR4A2RXRARXRBRXRGNR4A1
SCHEMBL13653142 0.79 NR4A2 (0.69) NR4A2RXRARXRBRXRGNR4A1
SCHEMBL7492453 0.79 NR4A2 (0.66) NR4A2RXRARXRBRXRGNR4A1
SCHEMBL11719710 0.79 NR4A2 (0.65) NR4A2RXRARXRBRXRGNR4A1
SCHEMBL16744267 0.79 RXRA (0.72) NR4A2RXRARXRBRXRGNR4A1
SCHEMBL2760386 0.78 NR4A2 (0.63) NR4A2RXRARXRBRXRGNR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160106712-A1 FATTY ACID COX INHIBITOR DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS INC (US) 2016-04-21 US disclosed
US-9216224-B2 Fatty acid COX inhibitor derivatives and their uses CATABASIS PHARMACEUTICALS, INC. (US) 2015-12-22 US disclosed
US-20150148306-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION KANDULA MAHESH (IN) 2015-05-28 US disclosed
US-20140315786-A1 USE OF INTRACELLULAR ENZYMES FOR THE RELEASE OF COVALENTLY LINKED BIOACTIVES CATABASIS PHARMACEUTICALS, INC. (US) 2014-10-23 US disclosed
US-20130065934-A1 FATTY ACID COX INHIBITOR DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-03-14 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 (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-20160106712-A1 FATTY ACID COX INHIBITOR DERIVATIVES AND THEIR USES PTGES, PTGES2, ALOX5 NR4A2 1362/4885RXRA 356/4885RXRB 468/4885
US-20150148306-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION IAPP, TTR, GPR119 NR4A2 568/4885RXRA 260/4885RXRB 343/4885
US-20140315786-A1 USE OF INTRACELLULAR ENZYMES FOR THE RELEASE OF COVALENTLY LINKED BIOACTIVES GAA, GUSB, ACER2 NR4A2 4351/4885RXRA 3556/4885RXRB 2871/4885
US-20130065934-A1 FATTY ACID COX INHIBITOR DERIVATIVES AND THEIR USES PTGES, ALOX5, PTGES2 NR4A2 1311/4885RXRA 347/4885RXRB 465/4885

“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.