SCHEMBL2810283

SCHEMBL2810283

CC(C)(c1cc(N)c(O)c(Cl)c1)c1cc(N)c(O)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 5/20 0.43
ALOX15 P16050 4/20 0.43
TSHR P16473 4/20 0.43
RECQL P46063 3/20 0.43
CYP3A4 P08684 3/20 0.43
HPGD P15428 3/20 0.43
ALOX12 P18054 2/20 0.43
CASP1 P29466 1/20 0.43
HIF1A Q16665 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
THRB P10828 1/20 0.43
GAA P10253 4/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
HTT P42858 2/20 0.37

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
SCHEMBL14119948 0.84 ALDH1A1 (0.52) ALDH1A1HSD17B10ALOX15TSHRRECQL
SCHEMBL19109 0.84 HSD17B10 (0.52) ALDH1A1HSD17B10ALOX15TSHRRECQL
SCHEMBL1028272 0.79 THRB (0.43) ALDH1A1HSD17B10TSHRRECQLCYP3A4
SCHEMBL11566429 0.78 ESR1 (0.52) ALDH1A1HSD17B10ALOX15TSHRRECQL
SCHEMBL2812358 0.78 ALDH1A1 (0.58) ALDH1A1HSD17B10ALOX15TSHRRECQL
SCHEMBL31287202 0.78 HSD17B10 (0.46) ALDH1A1HSD17B10ALOX15TSHRRECQL
SCHEMBL2812889 0.78 ALDH1A1 (0.39) ALDH1A1HSD17B10ALOX15TSHRRECQL
SCHEMBL297381 0.78 HSD17B10 (0.46) ALDH1A1HSD17B10ALOX15TSHRRECQL
SCHEMBL13038931 0.77 HSD17B10 (0.45) ALDH1A1HSD17B10ALOX15TSHRRECQL
SCHEMBL296892 0.75 CA2 (0.46) ALDH1A1HSD17B10ALOX15TSHRRECQL

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-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 EP 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B ALDH1A1 401/4885HSD17B10 534/4885ALOX15 1994/4885

“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.