SCHEMBL835549

SCHEMBL835549

CC(=Cc1ccccc1)C(=O)N(O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.58
TRPM8 Q7Z2W7 2/20 0.46
DHODH Q02127 1/20 0.46
HTT P42858 1/20 0.45
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RECQL P46063 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
FBP1 P09467 1/20 0.41
F2 P00734 1/20 0.40
GAA P10253 1/20 0.40
STAT1 P42224 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL835548 1.00 AKR1C3 (0.58) AKR1C3TRPM8DHODHHTTALDH1A1
SCHEMBL1629856 0.83 AKR1C3 (0.64) AKR1C3TRPM8DHODHHTTALDH1A1
SCHEMBL2638459 0.76 AKR1C3 (0.66) AKR1C3TRPM8DHODHHTTALDH1A1
SCHEMBL7886211 0.76 NPSR1 (0.52) HTTALDH1A1TSHRRAB9ANPC1
SCHEMBL759656 0.74 AKR1C3 (0.75) AKR1C3TRPM8DHODHHTTALDH1A1
SCHEMBL805622 0.74 AKR1C3 (0.75) AKR1C3TRPM8DHODHHTTALDH1A1
SCHEMBL41906 0.74 AKR1C3 (1.00) AKR1C3TRPM8DHODHHTTALDH1A1
SCHEMBL759655 0.74 AKR1C3 (0.75) AKR1C3TRPM8DHODHHTTALDH1A1
SCHEMBL2532810 0.74 AKR1C3 (0.75) AKR1C3TRPM8DHODHHTTALDH1A1
SCHEMBL37034 0.74 AKR1C3 (1.00) AKR1C3TRPM8DHODHHTTALDH1A1

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-8143423-B2 N-heterocyclic carbene (NHC) catalyzed synthesis of hydroxamic acids AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-03-27 US disclosed
US-20100105921-A1 N-HETEROCYCLIC CARBENE (NHC) CATALYZED SYNTHESIS OF HYDROXAMIC ACIDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-04-29 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-20100105921-A1 N-HETEROCYCLIC CARBENE (NHC) CATALYZED SYNTHESIS OF HYDROXAMIC ACIDS NDC1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HAO2 AKR1C3 652/4885TRPM8 4490/4885DHODH 228/4885

“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.