SCHEMBL8063641

SCHEMBL8063641

CN(C)c1ccccc1-c1ccc(OC(=O)Oc2ccc(-c3ccccc3N(C)C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 2/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
STAT3 P40763 1/20 0.38
PKM P14618 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
NSD2 O96028 1/20 0.38
EGFR P00533 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL19698852 0.80 MAPT (0.47) ALDH1A1MAPTSMN1; SMN2TP53GAA
SCHEMBL7047570 0.77 PPARG (0.52) MAPTKMT2AMEN1HDAC4HDAC2
SCHEMBL29788057 0.76 RXRA (0.47) ALDH1A1MAPTSMN1; SMN2TP53GAA
SCHEMBL8063635 0.76 TSHR (0.44) ALDH1A1MAPTSMN1; SMN2TP53GAA
SCHEMBL2038687 0.76 RXRA (0.47) ALDH1A1MAPTSMN1; SMN2TP53GAA
SCHEMBL1932914 0.74 ABL1 (0.50) ALDH1A1MAPTSMN1; SMN2TP53GAA
SCHEMBL9006614 0.74 TUBB4A (0.39) MAPTSMN1; SMN2TP53KMT2AMEN1
SCHEMBL1637928 0.74 CYP2A6 (0.52) MAPTSMN1; SMN2KMT2AMEN1BACE1
SCHEMBL29433183 0.73 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2TP53GAA
SCHEMBL1254512 0.73 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2TP53GAA

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-9012676-B2 Processes for producing aryl carbamates, isocynates and polyureas using diaryl carbonate GREAT EASTERN RESINS INDUSTRIAL CO., LTD. (CN) 2015-04-21 US disclosed
US-20130079542-A1 PROCESSES FOR PRODUCING ARYL CARBAMATES, ISOCYNATES AND POLYUREAS USING DIARYL CARBONATE NATIONAL CHUNG HSING UNIVERSITY (TW) 2013-03-28 US disclosed
US-6143917-A FROM A DIARYL CARBONATE AND AN AMINE COMPOUND HAVING AT LEAST ONE HYDROGEN ATOM LOCATED AT AN N-POSITION UNDER MODERATE CONDITIONS AT A HIGH REACTION RATE WITH A HIGH SELECTIVITY AND WITH A HIGH YIELD UBE INDUSTRIES, LTD. (JP) 2000-11-07 US disclosed
EP-0902014-A1 PROCESS FOR PRODUCING ARYL CARBAMATES UBE INDUSTRIES LIMITED (JP) 1999-03-17 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-20130079542-A1 PROCESSES FOR PRODUCING ARYL CARBAMATES, ISOCYNATES AND POLYUREAS USING DIARYL CARBONATE UROD, DDC, TST ALDH1A1 4595/4885MAPT 666/4885SMN1; SMN2 1963/4885

“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.