Herniarin

Herniarin

SCHEMBL593139

CC(=O)O.COc1ccc2ccc(=O)oc2c1

nearest known ligand 0.84

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Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Herniarin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.84
ALDH1A1 P00352 6/20 0.84
CA9 Q16790 5/20 0.84
CA12 O43570 4/20 0.84
HPGD P15428 3/20 0.84
CA1 P00915 2/20 0.84
CA4 P22748 2/20 0.84
CA6 P23280 2/20 0.84
CA5A P35218 2/20 0.84
CA7 P43166 2/20 0.84
CA14 Q9ULX7 2/20 0.84
CA3 P07451 1/20 0.84
AKR1B1 P15121 1/20 0.84
HSD17B10 Q99714 1/20 0.84
POLB P06746 3/20 0.69
GAA P10253 3/20 0.69
GLA P06280 2/20 0.69
TDP1 Q9NUW8 1/20 0.69
GBA1 P04062 1/20 0.68
CYP2A6 P11509 1/20 0.66

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
Herniarin SCHEMBL61221 0.92 CA12 (1.00) KDM4EALDH1A1CA9CA12HPGD
Herniarin SCHEMBL17629468 0.92 CA12 (1.00) KDM4EALDH1A1CA9CA12HPGD
Herniarin SCHEMBL29437733 0.92 CA12 (1.00) KDM4EALDH1A1CA9CA12HPGD
Herniarin SCHEMBL17113785 0.90 CA12 (0.96) KDM4EALDH1A1CA9CA12HPGD
Herniarin SCHEMBL22654644 0.88 KDM4E (0.79) KDM4EALDH1A1CA9CA12HPGD
Herniarin SCHEMBL6259517 0.87 CA12 (0.84) KDM4EALDH1A1CA9CA12HPGD
Herniarin SCHEMBL16752507 0.84 CA12 (0.84) KDM4EALDH1A1CA9CA12HPGD
7-Acetoxycoumarin SCHEMBL1827872 0.82 KDM4E (1.00) KDM4EALDH1A1CA9CA12HPGD
Herniarin SCHEMBL62963 0.80 CA12 (0.77) KDM4EALDH1A1CA9CA12HPGD
SCHEMBL1108372 0.80 CYP2A6 (1.00) KDM4EALDH1A1CA9CA12HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12611439-B2 Ionic self-assembling peptides 3-D MATRIX, LTD. (JP) 2026-04-28 US claimed
CN-112368295-B Ionic self-assembled peptides 立美基股份有限公司 2025-03-21 CN claimed
US-20230241157-A1 IONIC SELF-ASSEMBLING PEPTIDES 3-D MATRIX, LTD. (JP) 2023-08-03 US claimed
US-20230226142-A1 IONIC SELF-ASSEMBLING PEPTIDES 3-D MATRIX, LTD. (JP) 2023-07-20 US claimed
US-11617778-B2 Ionic self-assembling peptides 3-D MATRIX, LTD. (JP) 2023-04-04 US claimed
EP-3914706-A1 METHODS AND COMPOSITIONS OF ACCELERATING REACTIONS FOR POLYPEPTIDE ANALYSIS AND RELATED USES Encodia, Inc. (US) 2021-12-01 EP claimed
CN-113557299-A Methods and compositions for accelerating polypeptide analysis reactions and related uses ENCODIA 公司 2021-10-26 CN claimed
EP-3818071-A2 IONIC SELF-ASSEMBLING PEPTIDES 3-D Matrix, Ltd. (JP) 2021-05-12 EP claimed
CN-112368295-A Ionic self-assembling peptides 立美基股份有限公司 2021-02-12 CN claimed
CN-112272703-A Kits for assays employing nucleic acid encoding and/or labeling ENCODIA有限公司 2021-01-26 CN claimed
WO-2020154208-A1 METHODS AND COMPOSITIONS OF ACCELERATING REACTIONS FOR POLYPEPTIDE ANALYSIS AND RELATED USES Encodia, Inc. (US) 2020-07-30 WO claimed
WO-2020008377-A2 IONIC SELF-ASSEMBLING PEPTIDES 3-D MATRIX, LTD. (JP) 2020-01-09 WO claimed
EP-3452591-A1 MACROMOLECULE ANALYSIS EMPLOYING NUCLEIC ACID ENCODING Encodia, Inc. (US) 2019-03-13 EP claimed
WO-2017192633-A9 MACROMOLECULE ANALYSIS EMPLOYING NUCLEIC ACID ENCODING PROCURE LIFE SCIENCES INC. (US) 2017-12-14 WO claimed
WO-2017192633-A1 MACROMOLECULE ANALYSIS EMPLOYING NUCLEIC ACID ENCODING PROCURE LIFE SCIENCES INC. (US) 2017-11-09 WO claimed
EP-1995256-A1 EPHA2 T-cell epitope agonists and uses therefor University of Pittsburgh of the Commonwealth System of Higher Education (US) 2008-11-26 EP claimed
EP-1651671-A2 EPHA2 T-CELL EPITOPE AGONISTS AND USES THEREFOR UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-05-03 EP claimed
US-20060019899-A1 EphA2 T-cell epitopes and uses therefor UNIVERSITY OF PITTSBURGH (US) 2006-01-26 US claimed
US-20050048550-A1 EphA2 T-cell epitope agonists and uses therefor UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-03-03 US claimed
WO-2005012350-A2 EPHA2 T-CELL EPITOPE AGONISTS AND USES THEREFOR UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 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 (1 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-12611439-B2 Ionic self-assembling peptides QPCTL, GLUL, VIP KDM4E 1583/4885ALDH1A1 3386/4885CA9 3618/4885

“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.