SCHEMBL12201875

SCHEMBL12201875

CCN(CC)C(=O)c1cccc(C(C)(C)C)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.63
TDP1 Q9NUW8 1/20 0.63
HDAC8 Q9BY41 2/20 0.58
ACHE P22303 3/20 0.57
HSP90AA1 P07900 4/20 0.56
HSP90AB1 P08238 4/20 0.56
LMNA P02545 5/20 0.53
RECQL P46063 1/20 0.53
ALDH1A1 P00352 4/20 0.51
TSHR P16473 1/20 0.51
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL13969558 0.87 HPGD (0.59) HPGDTDP1HDAC8HSP90AA1HSP90AB1
SCHEMBL14093042 0.85 HDAC8 (0.56) HPGDTDP1HDAC8ACHEHSP90AA1
SCHEMBL4245460 0.85 OPRM1 (0.64) HPGDTDP1LMNAALDH1A1TSHR
SCHEMBL7406512 0.84 HPGD (0.79) HPGDTDP1HSP90AA1HSP90AB1LMNA
SCHEMBL278402 0.81 ACHE (0.59) HDAC8ACHEALDH1A1
SCHEMBL4927438 0.80 HPGD (0.55) HPGDTDP1HDAC8ACHEHSP90AA1
SCHEMBL12305535 0.80 ACHE (0.53) HDAC8ACHEMEN1KMT2A
SCHEMBL11515014 0.79 MLYCD (0.61) HPGDHSP90AA1HSP90AB1LMNARECQL
SCHEMBL92134 0.78 HPGD (0.56) HPGDTDP1HSP90AA1HSP90AB1LMNA
SCHEMBL15417212 0.78 HSP90AA1 (0.77) HPGDTDP1HSP90AA1HSP90AB1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150166500-A1 Compounds and Methods for Catalytic Directed ortho Substitution of Aromatic Amides and Esters QUEEN'S UNIVERSITY AT KINGSTON (CA) 2015-06-18 US disclosed
US-20120302752-A1 Compounds and Methods for Catalytic Directed ortho Substitution of Aromatic Amides and Esters QUEEN'S UNIVERSITY AT KINGSTON (CA) 2012-11-29 US disclosed
US-8034933-B2 graft v. host disease, arthritis, rheumatoid arthritis, inflammatory bowel disease, atopic dermatitis, psoriasis, asthma, allergies or multiple sclerosis; human immunodeficiency viricides SCHERING CORPORATION (US) 2011-10-11 US disclosed
US-20090005375-A1 ACETYL COENZYME A CARBOXYLASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-01 US disclosed
US-20090005375-A1 ACETYL COENZYME A CARBOXYLASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-01 US disclosed
US-7442703-B2 Piperidine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-10-28 US disclosed
US-7442703-B2 Piperidine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-10-28 US disclosed
US-20080214575-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION 2008-09-04 US disclosed
US-7384948-B2 Piperidine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-06-10 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 (4 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-20150166500-A1 Compounds and Methods for Catalytic Directed ortho Substitution of Aromatic Amides and Esters DDC, AOC2, AOC3 HPGD 2168/4885TDP1 2179/4885HDAC8 694/4885
US-20120302752-A1 Compounds and Methods for Catalytic Directed ortho Substitution of Aromatic Amides and Esters DDC, AOC2, AOC3 HPGD 2168/4885TDP1 2179/4885HDAC8 694/4885
US-20090005375-A1 ACETYL COENZYME A CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 HPGD 705/4885TDP1 3696/4885HDAC8 1159/4885
US-20080214575-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS CCR5, CCR10, CXCR3 HPGD 4337/4885TDP1 3414/4885HDAC8 2818/4885

“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.