SCHEMBL667047

SCHEMBL667047

Cc1cc(C)[n+]([O-])c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.35
CA1 P00915 8/20 0.33
CA9 Q16790 8/20 0.33
CA2 P00918 6/20 0.33
CA12 O43570 4/20 0.33
CA7 P43166 4/20 0.33
CA14 Q9ULX7 4/20 0.33
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SELL P14151 1/20 0.32
SELP P16109 1/20 0.32
SELE P16581 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL6419955 0.81 TSHR (0.41) TSHRKDM4ECA1CA9CA2
SCHEMBL11325482 0.81 TSHR (0.41) TSHRKDM4EALDH1A1CA1CA9
SCHEMBL6550332 0.75 TSHR (0.52) TSHRKDM4EALDH1A1MAPTNPC1
SCHEMBL898962 0.75 TSHR (0.52) TSHRKDM4EALDH1A1MAPTNPC1
SCHEMBL8240148 0.75 TSHR (0.52) TSHRKDM4EALDH1A1CA1CA9
Hydrochloric Acid SCHEMBL11613262 0.73 TSHR (0.50) TSHRKDM4EALDH1A1
SCHEMBL23555970 0.71 ALDH1A1 (0.50) TSHRKDM4EALDH1A1CA1CA9
SCHEMBL14302497 0.71 TSHR (0.48) TSHRKDM4EALDH1A1CA2NPC1
SCHEMBL10222488 0.71 TSHR (0.48) TSHRKDM4E
SCHEMBL6786340 0.69 TSHR (0.46) TSHRKDM4EALDH1A1

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 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116640111-A Synthesis method of seven-membered cyclic ether compound 苏州大学 2023-08-25 CN disclosed
US-20220388999-A1 NITROCATECHOL DERIVATIVES AS COMT INHIBITORS BIAL PORTELA & CA SA (PT) 2022-12-08 US disclosed
US-20170362213-A1 NITROCATECHOL DERIVATIVES AS COMT INHIBITORS PORTELA & COMPANHIA, S.A. (PT) 2017-12-21 US disclosed
CN-104974088-B A kind of the efficient of pyridines nitrogen oxides, the preparation method of heterogeneous catalysiss 周口师范学院 2017-04-05 CN disclosed
US-9550759-B2 Nitrocatechol derivatives as COMT inhibitors BIAL—PORTELA & CA, S.A. (PT) 2017-01-24 US disclosed
EP-1601642-B1 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORP (US) 2017-01-04 EP disclosed
EP-1601642-B1 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORP (US) 2017-01-04 EP disclosed
EP-2463269-B1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-09-28 EP disclosed
EP-2463269-B1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-09-28 EP disclosed
US-9359289-B2 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2016-06-07 US disclosed
US-20040020568-A1 Non-toxic corrosion-protection conversion coats based on rare earth elements DAYTON, UNIVERSITY OF 2004-02-05 US disclosed
US-20040016910-A1 Non-toxic corrosion-protection rinses and seals based on rare earth elements DAYTON, UNIVERSITY OF 2004-01-29 US disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
EP-1209525-A1 CHEMICAL AMPLIFICATION RESIST COMPOSITION Mitsubishi Rayon Co., Ltd. (JP) 2002-05-29 EP disclosed
US-5789138-A Optical recording medium and method of producing the same RICOH COMPANY, LTD. (JP) 1998-08-04 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-20170362213-A1 NITROCATECHOL DERIVATIVES AS COMT INHIBITORS COMT, PNMT, OPRK1 TSHR 4346/4885KDM4E 3423/4885ALDH1A1 139/4885
US-20220388999-A1 NITROCATECHOL DERIVATIVES AS COMT INHIBITORS COMT, PNMT, OPRK1 TSHR 4258/4885KDM4E 3530/4885ALDH1A1 137/4885

“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.