SCHEMBL8065698

SCHEMBL8065698

COc1ccc(-c2ccc(OC(=O)Oc3ccc(-c4ccc(OC)cc4)cc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.58
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
TP53 P04637 1/20 0.52
MAPK1 P28482 1/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
BACE1 P56817 1/20 0.52
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL1398350 0.93 CES2 (0.58) CES2CES1SMN1; SMN2NPC1RAB9A
SCHEMBL14064756 0.87 HSD17B10 (0.54) ESR2SMN1; SMN2RAB9ABACE1MEN1
SCHEMBL13415737 0.87 MAPT (0.58) ESR2SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL16675176 0.86 CES2 (0.52) CES2CES1SMN1; SMN2NPC1RAB9A
SCHEMBL25022311 0.84 ESR2 (0.61) ESR2CES2CES1SMN1; SMN2NPC1
SCHEMBL14700512 0.84 HSD17B10 (0.66) ESR2CES2CES1SMN1; SMN2NPC1
SCHEMBL6223461 0.84 ESR2 (0.56) ESR2CES2CES1SMN1; SMN2NPC1
SCHEMBL2608606 0.84 HSD17B10 (0.66) ESR2CES2CES1SMN1; SMN2NPC1
SCHEMBL5696756 0.84 CA4 (0.61) CES2CES1SMN1; SMN2NPC1RAB9A
SCHEMBL8779173 0.84 KMT2A (0.52) ESR2SMN1; SMN2RAB9AMEN1KMT2A

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 5 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
US-5463102-A Process for the continuous production of aryl carbonates BAYER AKTIENGESELLSCHAFT (DE) 1995-10-31 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 (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 ESR2 1820/4885CES2 1518/4885CES1 3319/4885

“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.