SCHEMBL5696756

SCHEMBL5696756

COc1ccc(OC(=O)Oc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.61
GAA P10253 3/20 0.59
HTT P42858 2/20 0.59
ALDH1A1 P00352 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CES2 O00748 2/20 0.59
CES1 P23141 2/20 0.59
LTA4H P09960 1/20 0.58
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
TAAR1 Q96RJ0 1/20 0.51
HSD11B1 P28845 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48

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 0.91 CES2 (0.58) GAAHTTALDH1A1SMN1; SMN2CES2
SCHEMBL1624304 0.89 KMT2A (0.52) GAAALDH1A1KDM4EHPGDMEN1
SCHEMBL13476677 0.88 ALDH1A1 (0.49) CA4GAAHTTALDH1A1SMN1; SMN2
SCHEMBL9353461 0.86 TDP1 (0.54) ALDH1A1SMN1; SMN2LTA4HKDM4EHPGD
SCHEMBL9353455 0.86 TDP1 (0.54) ALDH1A1SMN1; SMN2LTA4HKDM4EHPGD
SCHEMBL27352197 0.86 TDP1 (0.54) ALDH1A1SMN1; SMN2LTA4HKDM4EHPGD
SCHEMBL18073 0.86 TDP1 (0.54) ALDH1A1SMN1; SMN2LTA4HKDM4EHPGD
SCHEMBL9241160 0.86 TDP1 (0.54) ALDH1A1SMN1; SMN2LTA4HKDM4EHPGD
Anisole SCHEMBL5689479 0.85 ELANE (0.66) CA4GAAHTTALDH1A1SMN1; SMN2
SCHEMBL16675176 0.84 CES2 (0.52) GAAHTTALDH1A1SMN1; SMN2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745254-B2 Two-step and one-pot processes for preparation of aliphatic diisocyanates GREAT EASTERN RESINS INDUSTRIAL CO., LTD. (TW) 2017-08-29 US disclosed
CN-106349110-A Two-stage method and one-pot synthesis method for preparing aliphatic diisocyanate 大东树脂化学股份有限公司 2017-01-25 CN disclosed
US-20170015621-A1 TWO-STEP AND ONE-POT PROCESSES FOR PREPARATION OF ALIPHATIC DIISOCYANATES GREAT EASTERN RESINS INDUSTRIAL CO., LTD. (TW) 2017-01-19 US disclosed
CN-106146832-A Method for producing aliphatic amine dicarboxylic acid ester, aliphatic amine polycarboxylic acid ester and polyurea using diaryl carbonate 大东树脂化学股份有限公司 2016-11-23 CN disclosed
US-20160090351-A1 INHIBITORS OF DEUBIQUITINATING PROTEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-31 US disclosed
US-20160090351-A1 INHIBITORS OF DEUBIQUITINATING PROTEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-31 US disclosed
WO-2014172638-A2 INHIBITORS OF DEUBIQUITINATING PROTEASES BRANDEIS UNIVERSITY (US) 2014-10-23 WO disclosed
EP-1412411-B1 PROCESS FOR PREPARING POLYCARBONATE AND APPARATUS FOR PREPARING POLYCARBONATE GEN ELECTRIC (US) 2006-08-09 EP disclosed
EP-1118644-B1 Hot melt printing ink SIEGWERK DRUCKFARBEN AG (DE) 2006-06-14 EP disclosed
EP-1412411-A2 PROCESS FOR PREPARING POLYCARBONATE AND APPARATUS FOR PREPARING POLYCARBONATE GENERAL ELECTRIC COMPANY (US) 2004-04-28 EP disclosed
US-6620902-B2 Melting aromatic dihydroxy compound, a carbonic acid diester; mixing with endcapping agent under hermetic sealing GENERAL ELECTRIC COMPANY 2003-09-16 US disclosed
US-20030088051-A1 Process for preparing polycarbonate and apparatus for preparing polycarbonate GENERAL ELECTRIC COMPANY 2003-05-08 US disclosed
WO-2003008481-A2 PROCESS FOR PREPARING POLYCARBONATE AND APPARATUS FOR PREPARING POLYCARBONATE GENERAL ELECTRIC COMPANY (US) 2003-01-30 WO disclosed
EP-1118644-A2 Hot melt printing ink Siegwerk Druckfarben GmbH & Co. KG (DE) 2001-07-25 EP disclosed
US-5523451-A Process for the continuous preparation of aryl carbonates BAYER AKTIENGESELLSCHAFT (DE) 1996-06-04 US disclosed
US-5362901-A Process for the preparation of organic carbonates having at least one aromatic ester group BAYER AKTIENGESELLSCHAFT (DE) 1994-11-08 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-20160090351-A1 INHIBITORS OF DEUBIQUITINATING PROTEASES USP1, USP2, USP18 CA4 3407/4885GAA 328/4885HTT 2108/4885
US-20170015621-A1 TWO-STEP AND ONE-POT PROCESSES FOR PREPARATION OF ALIPHATIC DIISOCYANATES PARG, CDIPT, CDS2 CA4 1721/4885GAA 1378/4885HTT 3930/4885

“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.