SCHEMBL302722

SCHEMBL302722

O=[C]CSc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MAPK1 P28482 1/20 0.52
FFAR1 O14842 1/20 0.48
GRM5 P41594 1/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MGLL Q99685 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 1/20 0.39
MTNR1A P48039 4/20 0.38
MTNR1B P49286 4/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP3A4 P08684 2/20 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
SCHEMBL5805293 0.76 ALDH1A1 (0.43) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL2320892 0.76 MAOA (0.43) ALDH1A1MAOAMAOBNPC1RAB9A
SCHEMBL7699314 0.76 CA2 (0.48) ALDH1A1NPC1RAB9AMAPTHPGD
SCHEMBL10954827 0.76 CYP3A4 (0.44) ALDH1A1MAPK1NPC1RAB9AMAPT
SCHEMBL5537420 0.76 SMN1; SMN2 (0.48) ALDH1A1MAOAMAOBNPC1RAB9A
SCHEMBL9451913 0.76 ALDH1A1 (0.61) ALDH1A1MAPK1FFAR1MAOAMAOB
SCHEMBL5566559 0.76 MEN1 (0.44) ALDH1A1MAPTHSD17B10KMT2ACYP1A2
SCHEMBL3238761 0.76 MAOA (0.43) ALDH1A1MAOAMAOBNPC1RAB9A
SCHEMBL5385172 0.76 ANPEP (0.50) ALDH1A1MAPTHPGDCYP2C19CYP3A4
SCHEMBL1931888 0.75 ALDH1A1 (0.52) ALDH1A1MAPK1FFAR1GRM5MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2567964-B1 Monomer compositions for the synthesis of RNA, methods of synthesis, and methods of deprotection AGILENT TECHNOLOGIES INC (US) 2015-02-11 EP claimed
EP-2567964-A2 Monomer Compositions for the Synthesis of RNA, Methods of Synthesis, and Methods of Deprotection Agilent Technologies, Inc. (US) 2013-03-13 EP claimed
US-7759471-B2 nucleotide monomer used to make protected RNA that has similar stability to the DNA molecule AGILENT TECHNOLOGIES, INC. (US) 2010-07-20 US claimed
EP-2001896-A2 MONOMER COMPOSITIONS FOR THE SYNTHESIS OF RNA, METHODS OF SYNTHESIS, AND METHODS OF DEPROTECTION Agilent Technologies, Inc. (US) 2008-12-17 EP claimed
WO-2007112263-A2 MONOMER COMPOSITIONS FOR THE SYNTHESIS OF RNA, METHODS OF SYNTHESIS, AND METHODS OF DEPROTECTION AGILENT TECHNOLOGIES, INC. (US) 2007-10-04 WO claimed
US-20070100138-A1 Monomer compositions for the synthesis of polynucleotides, methods of synthesis, and methods of deprotection THE REGENTS OF THE UNIVERSITY OF COLORADO 2007-05-03 US claimed
US-20070100136-A1 Monomer compositions for the synthesis of RNA, methods of synthesis, and methods of deprotection AGILENT TECHNOLOGIES, INC. 2007-05-03 US claimed
WO-2004111092-A1 MODIFIED ALGINIC ACID OR ALGINIC ACID DERIVATIVES AND THERMOSETTING ANTI-REFLECTIVE COMPOSITIONS THEREOF AZ ELECTRONIC MATERIALS USA CORP. (US) 2004-12-23 WO claimed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
US-20020128213-A1 Sixteen-membered macrolide compounds KOSAN BIOSCIENCES, INC. 2002-09-12 US claimed
US-4255423-A BACTERICIDES MERCK & CO., INC. (US) 1981-03-10 US claimed
US-4224336-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-09-23 US claimed
US-4215124-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-07-29 US claimed
EP-0002210-A1 6- and 6,6- disubstituted-2-substituted-pen-2-em-3-carboxylic acids; processes for their preparation and pharmaceutical compositions containing such compounds MERCK & CO. INC. (US) 1979-06-13 EP claimed
US-4107432-A ANTIBIOTICS MERCK & CO., INC. (US) 1978-08-15 US claimed
US-4092474-A Cephalosporins having a metaloxy group in 3-substituent SHIONOGI & CO., LTD. (JA) 1978-05-30 US claimed
US-4086423-A CEPHALOSPORINS, CYCLOADDITION OF GLYCINE DERIVATIVE TO THIAZINE COMPOUND MERCK & CO., INC. (US) 1978-04-25 US claimed
US-4058661-A 7-Diacyl cephalosporins MERCK & CO., INC. (US) 1977-11-15 US claimed
US-3993646-A Process for the ring expansion of penicillins to cephalosporin compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-11-23 US claimed
US-3984401-A Process for producing lactol-type cephalosporins TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-10-05 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20070100136-A1 Monomer compositions for the synthesis of RNA, methods of synthesis, and methods of deprotection RNGTT, RNMT, NSUN2 ALDH1A1 3649/4885MAPK1 3561/4885FFAR1 4136/4885
US-20070100138-A1 Monomer compositions for the synthesis of polynucleotides, methods of synthesis, and methods of deprotection POLN, NT5C3B, PCNA ALDH1A1 4074/4885MAPK1 3279/4885FFAR1 4121/4885
US-20020128213-A1 Sixteen-membered macrolide compounds NOP2, NSUN3, MRPS23 ALDH1A1 4418/4885MAPK1 4682/4885FFAR1 772/4885

“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.