SCHEMBL4817698

SCHEMBL4817698

[CH2]CCc1cnc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
PDGFRB P09619 2/20 0.47
PDGFRA P16234 2/20 0.47
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MGAM O43451 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
PDE10A Q9Y233 6/20 0.42

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
SCHEMBL4811474 0.89 CYP1A2 (0.46) CYP1A2PDGFRBPDGFRAKDM1AMAOA
SCHEMBL3396692 0.88 CYP1A2 (0.55) CYP1A2PDGFRBPDGFRAKDM1AMAOA
SCHEMBL4817358 0.88 CYP1A2 (0.44) CYP1A2PDGFRBPDGFRAKDM1AMAOA
SCHEMBL16288543 0.86 TRPV1 (0.43) CYP1A2PDGFRBPDGFRAKDM1AMAOA
SCHEMBL16290039 0.86 TRPV1 (0.43) CYP1A2PDGFRBPDGFRAKDM1AMAOA
SCHEMBL16288020 0.86 TRPV1 (0.43) CYP1A2PDGFRBPDGFRAKDM1AMAOA
SCHEMBL3820110 0.85 CYP1A2 (0.52) CYP1A2PDGFRBPDGFRAKDM1AMAOA
SCHEMBL28532450 0.83 PDGFRB (0.53) CYP1A2PDGFRBPDGFRAKDM1AMAOA
SCHEMBL11597016 0.83 CYP1A2 (0.50) CYP1A2PDGFRBPDGFRAKDM1AMAOA
SCHEMBL28243569 0.83 CYP1A2 (0.50) CYP1A2PDGFRBPDGFRAKDM1AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023023513-A9 STABILIZATION OF OLIGONUCLEOTIDE AND OLIGONUCLEOTIDE-PROTEIN COMPLEX USING ALKYLATED PHOSPHATE UNIVERSITY OF MASSACHUSETTS (US) 2023-06-01 WO claimed
WO-2023023513-A1 STABILIZATION OF OLIGONUCLEOTIDE AND OLIGONUCLEOTIDE-PROTEIN COMPLEX USING ALKYLATED PHOSPHATE UNIVERSITY OF MASSACHUSETTS (US) 2023-02-23 WO claimed
CN-100441591-C Ketolactones, their use and process for their preparation and pharmaceutical compositions containing them ABBOTT LAB (US) 2008-12-10 CN claimed
US-7365174-B2 Azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-29 US claimed
US-20070042974-A1 Nozel azalide and azalactam derivatives and method for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-22 US claimed
EP-1661904-A1 NOVEL AZALIDE AND AZALACTAM DERIVATIVES AND PROCESS FOR THE PRODUCTION OF THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2006-05-31 EP claimed
CN-1680420-A Ketolactones, their use and process for their preparation and pharmaceutical compositions containing them ABBOTT LAB (US) 2005-10-12 CN claimed
EP-1291351-B1 6-0 substituted ketolides having antibacterial activity ABBOTT LAB (US) 2005-07-13 EP claimed
EP-1291351-A1 6-0 substituted ketolides having antibacterial activity ABBOTT LABORATORIES (US) 2003-03-12 EP claimed
US-6399648-B1 NERVOUS SYSTEM DISORDERS; ALZHEIMER'S DISEASE GPI NIL HOLDINGS, INC. 2002-06-04 US claimed
US-20010036942-A1 N-oxides of heterocyclic esters, amides, thioesters, and ketones GLIAMED, INC. 2001-11-01 US claimed
EP-1044208-A1 ERYTHROMYCIN DERIVATIVES Pfizer Products Inc. (US) 2000-10-18 EP claimed
CN-1237183-A 6-0-substituted ketolides with antibacterial activity ABBOTT CO (US) 1999-12-01 CN claimed
EP-0929563-A1 6-O-SUBSTITUTED KETOLIDES HAVING ANTIBACTERIAL ACTIVITY Abbott Laboratories (US) 1999-07-21 EP claimed
WO-1999035157-A1 NOVEL ERYTHROMYCIN DERIVATIVES PFIZER PRODUCTS INC. (US) 1999-07-15 WO claimed
WO-1998009978-A1 6-O-SUBSTITUTED KETOLIDES HAVING ANTIBACTERIAL ACTIVITY ABBOTT LABORATORIES (US) 1998-03-12 WO claimed
WO-2023023513-A9 STABILIZATION OF OLIGONUCLEOTIDE AND OLIGONUCLEOTIDE-PROTEIN COMPLEX USING ALKYLATED PHOSPHATE UNIVERSITY OF MASSACHUSETTS (US) 2023-06-01 WO disclosed
WO-2023023513-A1 STABILIZATION OF OLIGONUCLEOTIDE AND OLIGONUCLEOTIDE-PROTEIN COMPLEX USING ALKYLATED PHOSPHATE UNIVERSITY OF MASSACHUSETTS (US) 2023-02-23 WO disclosed
CN-1069976-A Hexanaphthene and tetrahydropyran derivatives HOFFMANN LA ROCHE (CH) 1993-03-17 CN disclosed
EP-0524439-A1 Novel cyclohexane and tetrahydropyran derivatives and antifungal compositions containing these derivatives F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1993-01-27 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 (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-20010036942-A1 N-oxides of heterocyclic esters, amides, thioesters, and ketones FKBP8, FKBP14, FKBP1A CYP1A2 2796/4885PDGFRB 3676/4885PDGFRA 3442/4885
US-20070042974-A1 Nozel azalide and azalactam derivatives and method for producing the same BCL6, NR4A1, NR4A2 CYP1A2 583/4885PDGFRB 2207/4885PDGFRA 2360/4885

“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.