SCHEMBL23752060

SCHEMBL23752060

CCCCCCCOc1ccc(-c2ccc(-c3cc(C(=O)[O-])c4cc(F)ccc4n3)cc2)cc1.[Na+]

nearest known ligand 0.57

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
▸ PLA2G2A P14555 4/20 0.57
▸ DHODH Q02127 6/20 0.53
▸ PDE10A Q9Y233 1/20 0.51
▸ EIF4A1 P60842 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ RARB P10826 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HPGD P15428 1/20 0.45

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
SCHEMBL23752064 0.97 PLA2G2A (0.60) PLA2G2ADHODHPDE10AEIF4A1ALDH1A1
SCHEMBL29617659 0.91 DHODH (0.64) PLA2G2ADHODHPDE10AEIF4A1ALDH1A1
SCHEMBL29617651 0.91 DHODH (0.64) PLA2G2ADHODHPDE10AEIF4A1ALDH1A1
SCHEMBL29617654 0.91 DHODH (0.64) PLA2G2ADHODHPDE10AEIF4A1ALDH1A1
SCHEMBL23113786 0.91 DHODH (0.64) PLA2G2ADHODHPDE10AEIF4A1ALDH1A1
SCHEMBL23590074 0.91 DHODH (0.64) PLA2G2ADHODHPDE10AEIF4A1ALDH1A1
SCHEMBL23590072 0.91 DHODH (0.64) PLA2G2ADHODHPDE10AEIF4A1ALDH1A1
SCHEMBL23590083 0.91 DHODH (0.64) PLA2G2ADHODHPDE10AEIF4A1ALDH1A1
SCHEMBL23590073 0.90 DHODH (0.66) PLA2G2ADHODHPDE10AEIF4A1ALDH1A1
SCHEMBL29617661 0.90 DHODH (0.66) PLA2G2ADHODHPDE10AEIF4A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4438042-A2 METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE Ohio State Innovation Foundation (US) 2024-10-02 — — EP disclosed
US-20240294477-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE OHIO STATE INNOVATION FOUNDATION (US) 2024-09-05 — — US disclosed
EP-3793562-B1 METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE OHIO STATE INNOVATION FOUNDATION (US) 2024-06-19 — — EP disclosed
US-11999697-B2 Methods and compositions for inhibition of dihydroorotate dehydrogenase OHIO STATE INNOVATION FOUNDATION (US) 2024-06-04 — — US disclosed
US-11312686-B2 Methods and compositions for inhibition of dihydroorotate dehydrogenase OHIO STATE INNOVATION FOUNDATION (US) 2022-04-26 — — US disclosed
US-20220064119-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE HENDRIX COLLEGE 2022-03-03 — — US disclosed
US-20210253531-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE OHIO STATE INNOVATION FOUNDATION 2021-08-19 — — 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 (5 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-11312686-B2 Methods and compositions for inhibition of dihydroorotate dehydrogenase DHODH, DLD, DPYD PLA2G2A 3822/4885DHODH 1/4885PDE10A 3865/4885
US-20240294477-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE DHODH, DLD, DPYD PLA2G2A 3651/4885DHODH 1/4885PDE10A 3520/4885
US-20220064119-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE DHODH, DLD, DPYD PLA2G2A 3651/4885DHODH 1/4885PDE10A 3520/4885
US-20210253531-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE DHODH, DLD, DPYD PLA2G2A 3822/4885DHODH 1/4885PDE10A 3865/4885
US-11999697-B2 Methods and compositions for inhibition of dihydroorotate dehydrogenase DHODH, DLD, DPYD PLA2G2A 3651/4885DHODH 1/4885PDE10A 3520/4885

“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.

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