SCHEMBL14770341

SCHEMBL14770341

CC(c1ccc(C(=O)c2ccccc2)cc1)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
SRD5A2 P31213 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.50
HPGD P15428 4/20 0.50
ELANE P08246 4/20 0.50
PTGS1 P23219 3/20 0.50
PTGS2 P35354 3/20 0.50
RAB9A P51151 3/20 0.50
MAPT P10636 2/20 0.50
CXCR1 P25024 2/20 0.50
CXCR2 P25025 2/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RECQL P46063 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
PMP22 Q01453 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50

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
SCHEMBL16738658 0.87 ALDH1A1 (0.48) ALDH1A1SRD5A2SMN1; SMN2HPGDELANE
SCHEMBL27889566 0.86 ALDH1A1 (0.47) ALDH1A1SRD5A2SMN1; SMN2HPGDELANE
SCHEMBL11739652 0.83 ALDH1A1 (0.52) ALDH1A1SRD5A2SMN1; SMN2HPGDELANE
SCHEMBL14357554 0.82 HDAC1 (0.56) ALDH1A1SRD5A2SMN1; SMN2HPGDELANE
SCHEMBL21276570 0.82 ALDH1A1 (0.56) ALDH1A1SRD5A2SMN1; SMN2HPGDELANE
SCHEMBL14540155 0.82 NR1H4 (0.53) ALDH1A1SRD5A2SMN1; SMN2HPGDKMT2A
SCHEMBL14622010 0.82 NR1H4 (0.53) ALDH1A1SRD5A2SMN1; SMN2HPGDKMT2A
SCHEMBL10022962 0.82 ALDH1A1 (0.61) ALDH1A1SRD5A2SMN1; SMN2HPGDELANE
SCHEMBL50522 0.82 ALDH1A1 (0.61) ALDH1A1SRD5A2SMN1; SMN2HPGDELANE
SCHEMBL17854675 0.80 PTGS2 (0.50) ALDH1A1SRD5A2SMN1; SMN2HPGDELANE

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 4 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-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 (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-20160106712-A1 FATTY ACID COX INHIBITOR DERIVATIVES AND THEIR USES PTGES, PTGES2, ALOX5 ALDH1A1 676/4885SRD5A2 761/4885SMN1; SMN2 1109/4885
US-20140315786-A1 USE OF INTRACELLULAR ENZYMES FOR THE RELEASE OF COVALENTLY LINKED BIOACTIVES GAA, GUSB, ACER2 ALDH1A1 1139/4885SRD5A2 3539/4885SMN1; SMN2 1752/4885
US-20130065934-A1 FATTY ACID COX INHIBITOR DERIVATIVES AND THEIR USES PTGES, ALOX5, PTGES2 ALDH1A1 609/4885SRD5A2 732/4885SMN1; SMN2 1004/4885

“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.