SCHEMBL10001173

SCHEMBL10001173

CC(C)(C)C(=O)c1ccc(Cl)c(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL13963740 0.85 ALDH1A1 (0.49) KDM4ERAB9ANPC1CA12CA1
SCHEMBL10877218 0.82 TSHR (0.57) KDM4ERAB9ANPC1SMN1; SMN2TSHR
SCHEMBL13577052 0.80 KMT2A (0.46) KDM4ERAB9ANPC1LMNASMN1; SMN2
SCHEMBL12088038 0.79 CYP1A2 (0.49) RAB9ANPC1TSHRALDH1A1MEN1
SCHEMBL13543240 0.79 TSHR (0.43) KDM4ENPC1CA12CA1CA2
SCHEMBL23682923 0.79 MAPT (0.49) KDM4ERAB9ANPC1LMNASMN1; SMN2
SCHEMBL3278794 0.79 MAPT (0.66) KDM4ERAB9ANPC1LMNASMN1; SMN2
SCHEMBL7105778 0.79 PRKCI (0.56) KDM4ERAB9ANPC1LMNASMN1; SMN2
SCHEMBL312298 0.78 SRD5A2 (0.53) KDM4ERAB9ANPC1LMNASMN1; SMN2
SCHEMBL2686416 0.77 ALOX15 (0.50) KDM4ERAB9ANPC1LMNASMN1; SMN2

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-8093427-B2 Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid NATIONAL TSING HUA UNIVERSITY (TW) 2012-01-10 US disclosed
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-15 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-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID CYP4F2, ACR, CYP4F3 KDM4E 3371/4885RAB9A 3757/4885NPC1 1152/4885

“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.