SCHEMBL10079022

SCHEMBL10079022

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

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.79
SMN1; SMN2 Q16637 2/20 0.56
MCL1 Q07820 1/20 0.54
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CA12 O43570 3/20 0.50
CA9 Q16790 3/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA14 Q9ULX7 2/20 0.50
ALOX5 P09917 1/20 0.50
PTGS2 P35354 1/20 0.50
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
HSD17B1 P14061 1/20 0.47

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
SCHEMBL7550083 0.89 HSD17B10 (1.00) HSD17B10SMN1; SMN2ALDH1A1TDP1CA12
SCHEMBL29737473 0.89 HSD17B10 (1.00) HSD17B10SMN1; SMN2ALDH1A1TDP1CA12
SCHEMBL6495696 0.87 HSD17B10 (0.58) HSD17B10SMN1; SMN2MCL1ALDH1A1MEN1
SCHEMBL9683494 0.86 HSD17B10 (0.58) HSD17B10SMN1; SMN2MCL1ALDH1A1MEN1
SCHEMBL699045 0.83 HSD17B10 (0.81) HSD17B10SMN1; SMN2MCL1ALDH1A1MEN1
SCHEMBL30832923 0.83 MCL1 (0.58) HSD17B10SMN1; SMN2MCL1ALDH1A1KMT2A
SCHEMBL3814907 0.82 HSD17B10 (0.79) HSD17B10SMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL6490357 0.82 DHODH (0.60) HSD17B10SMN1; SMN2MCL1ALDH1A1CA1
SCHEMBL6492271 0.81 SMN1; SMN2 (0.84) HSD17B10SMN1; SMN2MCL1ALDH1A1MEN1
SCHEMBL8771736 0.81 HSD17B10 (0.62) HSD17B10SMN1; SMN2ALDH1A1CA12CA9

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 2 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-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 HSD17B10 797/4885SMN1; SMN2 4840/4885MCL1 1278/4885

“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.