SCHEMBL12406136

SCHEMBL12406136

Cc1nccc(-c2cccc(C(C)C)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
KMO O15229 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
JAK2 O60674 2/20 0.41
CAMK2D Q13557 2/20 0.41
AAK1 Q2M2I8 3/20 0.41
DNMT3B Q9UBC3 2/20 0.40
PDE10A Q9Y233 1/20 0.40
MAPK1 P28482 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 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
SCHEMBL3626772 0.81 CTSS (0.50) KDM4EALDH1A1POLBMAPTCTSS
SCHEMBL7937255 0.80 KMO (0.62) KDM4EALDH1A1POLBMAPTLMNA
SCHEMBL18119035 0.78 KDM4E (0.50) KDM4EALDH1A1POLBMAPTLMNA
SCHEMBL12269982 0.78 CCR1 (0.52) CTSSCTSKJAK2RXRARXRB
SCHEMBL2406279 0.77 KMO (0.59) KDM4EALDH1A1POLBMAPTLMNA
SCHEMBL627394 0.77 KARS1 (0.56) KDM4EALDH1A1POLBMAPTLMNA
SCHEMBL18430837 0.77 KDM4E (0.49) KDM4EALDH1A1POLBMAPTLMNA
SCHEMBL2406094 0.77 KMO (0.59) KDM4EALDH1A1POLBMAPTLMNA
SCHEMBL17051601 0.75 KDM4E (0.51) KDM4EALDH1A1POLBMAPTLMNA
SCHEMBL17051616 0.75 KDM4E (0.48) KDM4EALDH1A1POLBMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556139-B2 6-substituted phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2017-01-31 US disclosed
US-8283368-B2 Selective ligands for the dopamine 3 (D3) receptor and methods of using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-09 US disclosed
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-28 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
WO-2008121592-A2 ACETYL COENZYME A CARBOXYLASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-09 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 (2 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-20090005375-A1 ACETYL COENZYME A CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 KDM4E 1752/4885ALDH1A1 72/4885POLB 1044/4885
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same DRD3, HTR3C, HTR3A KDM4E 3898/4885ALDH1A1 2290/4885POLB 4523/4885

“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.