SCHEMBL1021748

SCHEMBL1021748

Cc1ccc(NC(=O)Oc2c(C)cccc2C)cc1NC(=O)Oc1c(C)cccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.50
MAPK1 P28482 2/20 0.50
DDX3X O00571 2/20 0.49
MAPT P10636 7/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
ATM Q13315 1/20 0.48
FAAH O00519 1/20 0.47
CYP3A4 P08684 1/20 0.47
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NLRP3 Q96P20 1/20 0.43
POLB P06746 1/20 0.42
MAPK14 Q16539 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL12572552 0.88 ALDH1A1 (0.50) ALDH1A1LMNAMAPK1MAPTKMT2A
SCHEMBL1954199 0.84 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1DDX3XMAPT
SCHEMBL1835529 0.84 ALDH1A1 (0.49) ALDH1A1LMNAMAPK1MAPTKMT2A
SCHEMBL989117 0.82 ALDH1A1 (0.60) ALDH1A1LMNAMAPK1MAPTKMT2A
SCHEMBL716888 0.80 ALDH1A1 (0.57) ALDH1A1LMNAMAPK1MAPTKMT2A
SCHEMBL29922263 0.80 ALDH1A1 (0.57) ALDH1A1LMNAMAPK1MAPTKMT2A
SCHEMBL13593024 0.79 MAPT (0.57) ALDH1A1LMNADDX3XMAPTKMT2A
SCHEMBL13104381 0.79 MAPT (0.54) ALDH1A1LMNADDX3XMAPTKMT2A
SCHEMBL15374817 0.78 ALDH1A1 (0.60) ALDH1A1LMNAMAPK1MAPTKMT2A
SCHEMBL11765486 0.78 ALDH1A1 (0.56) ALDH1A1LMNAMAPK1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053595-B2 Process for producing isocyanates ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-11-08 US disclosed
EP-2088137-B1 A PROCESS FOR PRODUCING ISOCYANATES ASAHI KASEI CHEMICALS CORP (JP) 2011-01-12 EP disclosed
US-20100029981-A1 PROCESS FOR PRODUCING ISOCYANATES ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-02-04 US disclosed
EP-2088137-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2009-08-12 EP 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-20100029981-A1 PROCESS FOR PRODUCING ISOCYANATES PAH, ALKBH3, GRHPR ALDH1A1 906/4885LMNA 4196/4885MAPK1 2340/4885

“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.