SCHEMBL192800

SCHEMBL192800

CC(C)(C)OC(=O)[C@@](N)(C(=O)OC1CCCC1)c1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.45
CHRM3 P20309 8/20 0.38
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPK10 P53779 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MIF P14174 1/20 0.36
CACNA1B Q00975 4/20 0.35
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6347301 0.87 CHRM3 (0.48) CYP19A1CHRM3ALDH1A1CYP3A4CYP2D6
SCHEMBL193277 0.82 KDM4E (0.44) ALDH1A1HTTRAB9ASMN1; SMN2
SCHEMBL191556 0.81 CYP19A1 (0.39) CYP19A1CHRM3CACNA1B
SCHEMBL3622009 0.79 DGAT1 (0.43) ALDH1A1HSD17B10CYP3A4MIF
SCHEMBL2582578 0.79 DGAT1 (0.43) ALDH1A1HSD17B10CYP3A4MIF
SCHEMBL1554119 0.79 DGAT1 (0.43) ALDH1A1HSD17B10CYP3A4MIF
SCHEMBL26102432 0.77 CYP19A1 (0.55) CYP19A1CHRM3ALDH1A1ALOX15MAPK1
SCHEMBL27492837 0.77 BLM (0.44) CHRM3ALDH1A1HSD17B10CYP3A4CYP2D6
SCHEMBL27492836 0.77 BLM (0.44) CHRM3ALDH1A1HSD17B10CYP3A4CYP2D6
SCHEMBL7565066 0.76 ELANE (0.40) ALDH1A1MAPK1HSD17B10CYP3A4MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877366-B1 HYDROXAMIC ACID DERVICATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2012-01-04 EP disclosed
US-7973181-B2 Hydroxamic acid derivatives as inhibitors of HDAC enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2011-07-05 US disclosed
US-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2009-12-03 US disclosed
EP-1877366-A1 HYDROXAMIC ACID DERVICATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY Chroma Therapeutics Limited (GB) 2008-01-16 EP disclosed
WO-2006117548-A1 HYDROXAMIC ACID DERVICATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2006-11-09 WO 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-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY HDAC1, HDAC3, HAT1 CYP19A1 461/4885CHRM3 419/4885ALDH1A1 348/4885

“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.