SCHEMBL7129534

SCHEMBL7129534

CCCCCCCCCCCCCCCC(=O)Nc1cc(C)cc(C)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.73
HDAC1 Q13547 5/20 0.73
HDAC2 Q92769 5/20 0.73
HDAC10 Q969S8 5/20 0.73
HDAC11 Q96DB2 5/20 0.73
HDAC8 Q9BY41 5/20 0.73
HDAC6 Q9UBN7 5/20 0.73
HDAC4 P56524 3/20 0.73
HDAC7 Q8WUI4 3/20 0.73
HDAC9 Q9UKV0 3/20 0.73
HDAC5 Q9UQL6 3/20 0.73
LMNA P02545 2/20 0.55
NCOR2 Q9Y618 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
POLB P06746 1/20 0.54
SOAT2 O75908 1/20 0.54
SOAT1 P35610 1/20 0.54
GAA P10253 1/20 0.54

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
SCHEMBL12371901 0.93 HDAC8 (0.83) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL16118213 0.89 LMNA (0.61) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL27975953 0.87 LMNA (0.63) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL26360091 0.85 HDAC3 (0.55) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL4310606 0.85 HDAC3 (0.55) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL4315463 0.85 HDAC3 (0.55) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL14675977 0.85 HDAC3 (0.66) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL9170867 0.85 HDAC3 (0.55) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL9115650 0.84 HDAC3 (0.78) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL9363122 0.83 ALDH1A1 (0.57) HDAC3HDAC1HDAC2HDAC10HDAC11

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-20030097002-A1 Enantioselective reactions using two-component chiral phase transfer catalysts in multiphasic systems THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2003-05-22 US disclosed
WO-2002092562-A2 ENANTIOSELECTIVE REACTIONS USING TWO-COMPONENT CHIRAL PHASE TRANSFER CATALYSTS IN MULTIPHASIC SYSTEMS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2002-11-21 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-20030097002-A1 Enantioselective reactions using two-component chiral phase transfer catalysts in multiphasic systems COASY, MOGAT2, ICMT HDAC3 2313/4885HDAC1 3284/4885HDAC2 1809/4885

“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.