SCHEMBL593241

SCHEMBL593241

Cc1ccc(-c2ccc(C(F)(F)F)cc2C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.52
ALOX5AP P20292 1/20 0.52
FEN1 P39748 1/20 0.52
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
KDM1A O60341 2/20 0.49
HSD17B10 Q99714 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 2/20 0.48
APP P05067 1/20 0.48
USP2 O75604 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
SORT1 Q99523 2/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46

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
SCHEMBL6491531 0.91 CYP2C8 (0.56) CYP2C8ALOX5APFEN1RXRARXRB
SCHEMBL29978858 0.88 RXRA (0.54) CYP2C8RXRARXRBKDM1AHSD17B10
SCHEMBL23354125 0.88 RXRA (0.54) CYP2C8RXRARXRBKDM1AHSD17B10
SCHEMBL343208 0.85 HSD17B10 (0.53) CYP2C8ALOX5APFEN1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL7763180 0.84 HSD17B10 (0.51) CYP2C8ALOX5APFEN1HSD17B10KDM4E
SCHEMBL6495696 0.81 HSD17B10 (0.58) HSD17B10KDM4EALDH1A1AKR1C2SMN1; SMN2
SCHEMBL6488781 0.81 RXRA (0.54) CYP2C8RXRARXRBKDM1AHSD17B10
SCHEMBL592340 0.81 RXRB (0.57) CYP2C8RXRARXRBHSD17B10KDM4E
SCHEMBL6799953 0.79 RXRA (0.55) CYP2C8RXRARXRBKDM1AHSD17B10
SCHEMBL6492505 0.79 CYP2C8 (0.57) CYP2C8ALOX5APFEN1KDM1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114993-B2 Use of aryl chlorides in palladium-catalyzed C-H bond functionalization THE UNIVERSITY OF HOUSTON SYSTEM (US) 2012-02-14 US disclosed
US-8114993-B2 Use of aryl chlorides in palladium-catalyzed C-H bond functionalization THE UNIVERSITY OF HOUSTON SYSTEM (US) 2012-02-14 US disclosed
US-8114993-B2 Use of aryl chlorides in palladium-catalyzed C-H bond functionalization THE UNIVERSITY OF HOUSTON SYSTEM (US) 2012-02-14 US disclosed
US-20090012293-A1 USE OF ARYL CHLORIDES IN PALLADIUM-CATALYZED C-H BOND FUNCTIONALIZATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-01-08 US disclosed
US-20090012293-A1 USE OF ARYL CHLORIDES IN PALLADIUM-CATALYZED C-H BOND FUNCTIONALIZATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-01-08 US disclosed
US-20090012293-A1 USE OF ARYL CHLORIDES IN PALLADIUM-CATALYZED C-H BOND FUNCTIONALIZATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-01-08 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 (1 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-20090012293-A1 USE OF ARYL CHLORIDES IN PALLADIUM-CATALYZED C-H BOND FUNCTIONALIZATION DBH, DDT, CYCS CYP2C8 77/4885ALOX5AP 3333/4885FEN1 3946/4885

“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.