SCHEMBL13337387

SCHEMBL13337387

CC(C)(C)C1CC(=O)c2ccccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.53
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HBB P68871 1/20 0.43
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
HTR2B P41595 1/20 0.41
ACHE P22303 1/20 0.40
MAOB P27338 3/20 0.40
CYP19A1 P11511 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
AR P10275 2/20 0.40
KDM4E B2RXH2 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
SCHEMBL30022661 0.81 ACHE (0.58) MEN1KMT2AHSD17B10ALDH1A1HBB
SCHEMBL1855652 0.81 ACHE (0.58) MEN1KMT2AHSD17B10ALDH1A1HBB
SCHEMBL4221590 0.81 ACHE (0.58) MEN1KMT2AHSD17B10ALDH1A1HBB
SCHEMBL12237554 0.81 ADORA3 (0.41) S100A4HSD17B10ALDH1A1HBBMAPT
SCHEMBL66876 0.74 ACHE (0.64) S100A4MEN1KMT2APOLBHSD17B10
SCHEMBL5952358 0.72 ACHE (0.40) S100A4HSD17B10ALDH1A1HBBMAPT
SCHEMBL5952731 0.72 ACHE (0.41) POLBHSD17B10ALDH1A1HBBMAPT
SCHEMBL8845683 0.72 PIM1 (0.41) HSD17B10ALDH1A1HBBACHECYP19A1
SCHEMBL4459322 0.71 S100A4 (0.61) S100A4MEN1KMT2APOLBHSD17B10
SCHEMBL16377312 0.71 S100A4 (0.55) S100A4MEN1KMT2APOLBALDH1A1

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-8871916-B2 Diaryl phosphine compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-10-28 US disclosed
US-20130203974-A1 Preparation of Diazo and Diazonium Compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-08-08 US disclosed
US-8350014-B2 Preparation of diazo and diazonium compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-08 US disclosed
US-8350014-B2 Preparation of diazo and diazonium compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-08 US disclosed
US-20100125132-A1 PREPARATION OF DIAZO AND DIAZONIUM COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2010-05-20 US disclosed
US-20100125132-A1 PREPARATION OF DIAZO AND DIAZONIUM COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2010-05-20 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 (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-20100125132-A1 PREPARATION OF DIAZO AND DIAZONIUM COMPOUNDS TREH, TALDO1, LIPE S100A4 4746/4885MEN1 345/4885KMT2A 1865/4885
US-20130203974-A1 Preparation of Diazo and Diazonium Compounds TREH, TALDO1, LIPE S100A4 4746/4885MEN1 345/4885KMT2A 1865/4885

“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.