SCHEMBL29478010

SCHEMBL29478010

Cc1cc(O)c(C(C)C)cc1C(=O)[O-].[Na+]

nearest known ligand 0.50

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
LMNA P02545 6/20 0.50
PKM P14618 1/20 0.46
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 5/20 0.43
GAA P10253 4/20 0.42
HSP90AA1 P07900 4/20 0.41
HSP90AB1 P08238 2/20 0.41
TRPA1 O75762 1/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A2 P23975 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
HSD17B10 Q99714 2/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39

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 SCHEMBL29477948 0.98 LMNA (0.52) LMNAPKMMAPTNPSR1MEN1
SCHEMBL29477974 0.83 RORC (0.41) LMNAPKMMAPTNPSR1MEN1
SCHEMBL8945912 0.81 MAPT (0.57) LMNAPKMMAPTNPSR1MEN1
SCHEMBL29382216 0.81 MAPT (0.57) LMNAPKMMAPTNPSR1MEN1
SCHEMBL27538691 0.81 LMNA (0.53) LMNAPKMMAPTNPSR1MEN1
Potassium Ion SCHEMBL29477941 0.81 RORC (0.41) LMNAPKMMAPTNPSR1MEN1
SCHEMBL29478002 0.81 PKM (0.38) LMNAPKMMAPTNPSR1MEN1
SCHEMBL4639806 0.80 LMNA (0.52) LMNAPKMMAPTNPSR1MEN1
Potassium Ion SCHEMBL29477989 0.79 PKM (0.38) LMNAPKMMAPTNPSR1MEN1
SCHEMBL29478011 0.79 TRPV1 (0.39) LMNAPKMHSP90AA1CYP2C19ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113423683-B Method for producing 4-hydroxy-2-methylbenzoic acid 本州化学工业株式会社 2024-06-18 CN claimed
US-12037315-B2 Production method for 4-hydroxy-2-methylbenzoic acid HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2024-07-16 US disclosed
CN-113423683-B Method for producing 4-hydroxy-2-methylbenzoic acid 本州化学工业株式会社 2024-06-18 CN disclosed
US-20220127216-A1 PRODUCTION METHOD FOR 4-HYDROXY-2-METHYLBENZOIC ACID HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2022-04-28 US 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-20220127216-A1 PRODUCTION METHOD FOR 4-HYDROXY-2-METHYLBENZOIC ACID HAO2, HPD, HAAO LMNA 4727/4885PKM 1338/4885MAPT 3707/4885
US-12037315-B2 Production method for 4-hydroxy-2-methylbenzoic acid HAO2, HPD, HAAO LMNA 4727/4885PKM 1338/4885MAPT 3707/4885

“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.