SCHEMBL178039

SCHEMBL178039

COc1cc2c(cc1OC)C(=O)Cc1ccc3c(c1CN(C)CC2)OCO3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 1.00
CYP2D6 P10635 5/20 1.00
KDM4E B2RXH2 4/20 1.00
MEN1 O00255 4/20 1.00
CYP2C19 P33261 2/20 1.00
CYP3A4 P08684 1/20 0.79
TSHR P16473 1/20 0.79
CYP1A2 P05177 1/20 0.49
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
TDP2 O95551 1/20 0.42
RAD52 P43351 1/20 0.42
CASP6 P55212 1/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
SLC6A4 P31645 1/20 0.42
KDM1A O60341 1/20 0.42
HPGD P15428 1/20 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
SCHEMBL29419477 1.00 KMT2A (1.00) KMT2ACYP2D6KDM4EMEN1CYP2C19
SCHEMBL29356135 0.88 CYP2D6 (1.00) KMT2ACYP2D6KDM4EMEN1CYP2C19
SCHEMBL178013 0.88 CYP2D6 (1.00) KMT2ACYP2D6KDM4EMEN1CYP2C19
Hydrochloric Acid SCHEMBL4456077 0.87 CYP2D6 (0.98) KMT2ACYP2D6KDM4EMEN1CYP2C19
Hydrochloric Acid SCHEMBL29389905 0.87 CYP2D6 (0.98) KMT2ACYP2D6KDM4EMEN1CYP2C19
Dihydrosanguinarine SCHEMBL16971032 0.86 CYP2D6 (0.74) KMT2ACYP2D6KDM4EMEN1CYP2C19
Nitric Acid SCHEMBL3871762 0.82 CYP2D6 (0.86) KMT2ACYP2D6KDM4EMEN1CYP2C19
Allocryptopine SCHEMBL29568468 0.82 CYP2D6 (1.00) KMT2ACYP2D6KDM4EMEN1CYP2C19
Allocryptopine SCHEMBL673252 0.82 CYP2D6 (1.00) KMT2ACYP2D6KDM4EMEN1CYP2C19
Allocryptopine SCHEMBL30477770 0.82 CYP2D6 (1.00) KMT2ACYP2D6KDM4EMEN1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4687856-A2 GLP-1R AGONIST AND DPP-4 INHIBITOR COMPOSITIONS AND METHODS OF USING JDS Therapeutics, LLC (US) 2026-02-11 EP claimed
US-20240415129-A1 BOTANICAL BASED BIO-INSECTICIDAL COMPOSITIONS FOR CONTROLLING PESTS AND IMPROVING THE PLANT PHYSIOLOGICAL PROCESS KAY BEE BIO ORGANICS PVT LTD (IN) 2024-12-19 US claimed
WO-2024229159-A2 GLP-1R AGONIST AND DPP-4 INHIBITOR COMPOSITIONS AND METHODS OF USING JDS THERAPEUTICS, LLC (US) 2024-11-07 WO claimed
US-20240366525-A1 GLP-1R AGONIST AND DPP-4 INHIBITOR COMPOSITIONS AND METHODS OF USING JDS THERAPEUTICS, LLC 2024-11-07 US claimed
EP-4229639-A1 METHOD AND SYSTEMS FOR PHYTOMEDICINE ANALYTICS FOR RESEARCH OPTIMIZATION AT SCALE GBS Global Biopharma, Inc. (CA) 2023-08-23 EP claimed
US-20230172916-A1 COMPOSITION COMPRISING AT LEAST ONE PROTOBERBERINE ALKALOID AND METHOD FOR MANUFACTURING SAME ELEONOR (BE) 2023-06-08 US claimed
EP-4135666-A1 COMPOSITION COMPRISING AT LEAST ONE PROTOBERBERINE ALKALOID AND METHOD FOR MANUFACTURING SAME Eleonor (BE) 2023-02-22 EP claimed
CN-110715987-B Quality control method for Yujiang corydalis amabilis 张璐 2022-05-03 CN claimed
WO-2022081889-A1 METHOD AND SYSTEMS FOR PHYTOMEDICINE ANALYTICS FOR RESEARCH OPTIMIZATION AT SCALE GBS GLOBAL BIOPHARMA, INC. (CA) 2022-04-21 WO claimed
CN-108938749-B Pharmaceutical composition and preparation method and application thereof 深圳市新鸿镁医疗器械有限公司 2021-11-12 CN claimed
US-20110287095-A1 Methods of Producing Stabilized Solid Dosage Pharmaceutical Compositions Containing Morphinans Mallinkckrodt Inc. (US) 2011-11-24 US claimed
WO-2011087765-A2 METHODS OF PRODUCING STABILIZED SOLID PHARMACEUTICAL COMPOSITIONS CONTAINING MORPHINANS MALLINCKRODT INC. (US) 2011-07-21 WO claimed
US-20110150989-A1 Methods of Producing Stabilized Solid Dosage Pharmaceutical Compositions Containing Morphinans Mallinkckrodt Inc. (US) 2011-06-23 US claimed
WO-2011041470-A2 SUSTAINED-RELEASE OPIATE AND OPIATE DERIVATIVE COMPOSITIONS MALLINCKRODT INC. (US) 2011-04-07 WO claimed
US-20110077222-A1 Sustained-Release Opiate and Opiate Derivative Compositions MALLINCKRODT INC. (US) 2011-03-31 US claimed
WO-2010039218-A1 METHOD OF PURIFYING CRUDE NOSCAPINE MALLINCKRODT INC. (US) 2010-04-08 WO claimed
US-20100081822-A1 Method of purifying crude noscapine MALLINCKRODT INC. (US) 2010-04-01 US claimed
CN-100428956-C Use of aza decyl meta pentalkenylone compounds SAIDA BIOLOG TECHNOLOGY RES CT (CN) 2008-10-29 CN claimed
CN-1748794-A Use of aza decyl meta pentalkenylone compounds SAIDA BIOLOG TECHNOLOGY RES CT (CN) 2006-03-22 CN claimed
WO-2005012507-A1 PRODUCTION OF PLANT SECONDARY METABOLITES USING ADSORPTION AND ELICITATION IN CELL SUSPENSION CULTURE THE UNIVERSITY OF MELBOURNE (AU) 2005-02-10 WO 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 (4 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-20110150989-A1 Methods of Producing Stabilized Solid Dosage Pharmaceutical Compositions Containing Morphinans LPXN, FSCN1, NCLN KMT2A 4612/4885CYP2D6 324/4885KDM4E 4729/4885
US-20110287095-A1 Methods of Producing Stabilized Solid Dosage Pharmaceutical Compositions Containing Morphinans LPXN, FSCN1, NCLN KMT2A 4612/4885CYP2D6 324/4885KDM4E 4729/4885
US-20110077222-A1 Sustained-Release Opiate and Opiate Derivative Compositions OPRL1, OPRK1, OPRM1 KMT2A 3398/4885CYP2D6 94/4885KDM4E 3460/4885
US-20230172916-A1 COMPOSITION COMPRISING AT LEAST ONE PROTOBERBERINE ALKALOID AND METHOD FOR MANUFACTURING SAME MANBA, CROCC, MAN2A1 KMT2A 4434/4885CYP2D6 2517/4885KDM4E 4878/4885

“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.