SCHEMBL25307342

SCHEMBL25307342

CN(C)Cc1cc(C(C)(C)C)c([O-])c(C(C)(C)C)c1.[Na+]

nearest known ligand 0.63

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. 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
GABBR2 known ✓ O75899 1/20 0.32
GABBR1 known ✓ Q9UBS5 1/20 0.32
ALDH1A1 P00352 5/20 0.63
LMNA P02545 3/20 0.63
TSHR P16473 3/20 0.63
GAA P10253 1/20 0.63
MAPT P10636 3/20 0.40
MAPK1 P28482 3/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 3/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 3/20 0.36
ALOX15 P16050 3/20 0.36
CYP2C9 P11712 2/20 0.36
GSR P00390 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35

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
Potassium Ion SCHEMBL25308456 0.96 ALDH1A1 (0.63) ALDH1A1LMNATSHRGAAMAPT
Lithium Ion SCHEMBL25306574 0.96 ALDH1A1 (0.63) ALDH1A1LMNATSHRGAAMAPT
SCHEMBL25306513 0.96 ALDH1A1 (0.63) ALDH1A1LMNATSHRGAAMAPT
SCHEMBL25258595 0.96 ALDH1A1 (0.63) ALDH1A1LMNATSHRGAAMAPT
SCHEMBL9911750 0.79 ALDH1A1 (0.68) ALDH1A1LMNATSHRGAAMAPT
SCHEMBL38719 0.78 ALDH1A1 (1.00) ALDH1A1LMNATSHRGAAMAPT
Boric Acid SCHEMBL9665661 0.77 ALDH1A1 (0.89) ALDH1A1LMNATSHRGAAMAPT
SCHEMBL25307340 0.76 ALDH1A1 (0.96) ALDH1A1LMNATSHRGAAMAPT
SCHEMBL25308455 0.76 ALDH1A1 (0.96) ALDH1A1LMNATSHRGAAMAPT
SCHEMBL25262628 0.76 ALDH1A1 (0.96) ALDH1A1LMNATSHRGAAMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12545782-B2 Thermally curable compositions, thermally cured compositions, and articles prepared therefrom 3M INNOVATIVE PROPERTIES COMPANY (US) 2026-02-10 US claimed
US-20230279216-A1 THERMALLY CURABLE COMPOSITIONS, THERMALLY CURED COMPOSITIONS, AND ARTICLES PREPARED THEREFROM 3M INNOVATIVE PROPERTIES COMPANY 2023-09-07 US claimed
EP-4204474-A1 THERMALLY CURABLE COMPOSITIONS, THERMALLY CURED COMPOSITIONS, AND ARTICLES PREPARED THEREFROM 3M Innovative Properties Company (US) 2023-07-05 EP claimed
US-12545782-B2 Thermally curable compositions, thermally cured compositions, and articles prepared therefrom 3M INNOVATIVE PROPERTIES COMPANY (US) 2026-02-10 US disclosed
US-20230279216-A1 THERMALLY CURABLE COMPOSITIONS, THERMALLY CURED COMPOSITIONS, AND ARTICLES PREPARED THEREFROM 3M INNOVATIVE PROPERTIES COMPANY 2023-09-07 US disclosed
EP-4204474-A1 THERMALLY CURABLE COMPOSITIONS, THERMALLY CURED COMPOSITIONS, AND ARTICLES PREPARED THEREFROM 3M Innovative Properties Company (US) 2023-07-05 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 (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-12545782-B2 Thermally curable compositions, thermally cured compositions, and articles prepared therefrom TERT, ARCN1, MRPL12 GABBR2 4010/4885GABBR1 4256/4885ALDH1A1 1766/4885

“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.