SCHEMBL193277

SCHEMBL193277

CC(C)(C)OC(=O)[C@@](N)(C(=O)OC1CCCC1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 1/20 0.42
LTA4H P09960 1/20 0.42
PRMT5 O14744 3/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA5 P30532 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
MAOB P27338 1/20 0.41
PARP10 Q53GL7 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
NR4A2 P43354 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
YAP1 P46937 2/20 0.40
HTT P42858 1/20 0.40
KCNH2 Q12809 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
SCHEMBL6347301 0.84 CHRM3 (0.48) ALDH1A1LMNAKCNH2
SCHEMBL2574959 0.83 LTA4H (0.49) KDM4EKMT2ASMN1; SMN2RAB9ALTA4H
SCHEMBL192403 0.83 MAOB (0.50) KDM4EKMT2ASMN1; SMN2RAB9ALTA4H
SCHEMBL9691305 0.82 KDM4E (0.40) KDM4EKMT2ASMN1; SMN2RAB9ALTA4H
SCHEMBL9043111 0.82 KDM4E (0.40) KDM4EKMT2ASMN1; SMN2RAB9ALTA4H
SCHEMBL9043198 0.82 KDM4E (0.40) KDM4EKMT2ASMN1; SMN2RAB9ALTA4H
SCHEMBL192800 0.82 CYP19A1 (0.45) SMN1; SMN2RAB9AALDH1A1HTT
SCHEMBL191556 0.81 CYP19A1 (0.39)
SCHEMBL27574390 0.75 MAOB (0.48) KDM4EKMT2ASMN1; SMN2RAB9ALTA4H
SCHEMBL193278 0.74 SMN1; SMN2 (0.43) KDM4EKMT2ASMN1; SMN2RAB9AALDH1A1

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 3 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

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 KDM4E 800/4885KMT2A 241/4885SMN1; SMN2 2682/4885

“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.