SCHEMBL12822356

SCHEMBL12822356

CC1=C(Cc2ccc(C(F)(F)F)cc2)C(=O)c2cc(C)c(C)cc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.41
▸ TBXAS1 P24557 1/20 0.40
▸ DAO P14920 2/20 0.38
▸ SRD5A2 P31213 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ CHRM5 P08912 4/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ LDHA P00338 1/20 0.36
▸ LDHB P07195 1/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PARK7 Q99497 1/20 0.35
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 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
SCHEMBL29906466 1.00 IDH1 (0.44) IDH1HSP90AA1TBXAS1DAOSRD5A2
SCHEMBL12822344 0.87 MAOA (0.50) IDH1HSP90AA1TBXAS1DAOSRD5A2
SCHEMBL12760719 0.87 MAOA (0.50) IDH1HSP90AA1TBXAS1DAOSRD5A2
SCHEMBL29906394 0.87 MAOA (0.50) IDH1HSP90AA1TBXAS1DAOSRD5A2
SCHEMBL12833645 0.87 TBXAS1 (0.54) IDH1HSP90AA1TBXAS1CHRM5CHRM3
SCHEMBL12965472 0.86 CHRM5 (0.47) IDH1HSP90AA1TBXAS1DAOSRD5A2
SCHEMBL12822367 0.86 ACHE (0.41) IDH1HSP90AA1TBXAS1ACHEKIF11
SCHEMBL12822037 0.86 CHRM5 (0.47) IDH1HSP90AA1TBXAS1DAOSRD5A2
SCHEMBL12822280 0.85 ESR1 (0.42) IDH1HSP90AA1TBXAS1SRD5A2LDHA
SCHEMBL15700245 0.85 P2RX3 (0.42) IDH1HSP90AA1TBXAS1CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174589-A1 PHOTOREDOX RADICAL BENZYLATION PROCESS CENTRE NAT RECH SCIENT (FR) 2024-05-30 — — US disclosed
EP-4301722-A1 PHOTOREDOX RADICAL BENZYLATION PROCESS Centre National de la Recherche Scientifique (FR) 2024-01-10 — — EP disclosed
EP-2691372-B1 TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS CENTRE NAT RECH SCIENT (FR) 2019-10-16 — — EP disclosed
EP-2691372-B1 TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS CENTRE NAT RECH SCIENT (FR) 2019-10-16 — — EP disclosed
US-9409879-B2 Total synthesis of redox-active 1.4-naphthoquinones and their metabolites and their therapeutic use as antimalarial and schistomicidal agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-08-09 — — US disclosed
US-9409879-B2 Total synthesis of redox-active 1.4-naphthoquinones and their metabolites and their therapeutic use as antimalarial and schistomicidal agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-08-09 — — US disclosed
US-9409879-B2 Total synthesis of redox-active 1.4-naphthoquinones and their metabolites and their therapeutic use as antimalarial and schistomicidal agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-08-09 — — US disclosed
US-20140121238-A1 TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-05-01 — — US disclosed
US-20140121238-A1 TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-05-01 — — US disclosed
US-20140121238-A1 TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-05-01 — — US disclosed
EP-2691372-A1 TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS Centre National De La Recherche Scientifique (FR) 2014-02-05 — — EP disclosed
WO-2012131010-A1 TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-10-04 — — WO disclosed
WO-2012131010-A1 TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-10-04 — — WO 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-20140121238-A1 TOTAL SYNTHESIS OF REDOX-ACTIVE 1.4-NAPHTHOQUINONES AND THEIR METABOLITES AND THEIR THERAPEUTIC USE AS ANTIMALARIAL AND SCHISTOMICIDAL AGENTS NQO1, AOX1, CYP4X1 IDH1 473/4885HSP90AA1 868/4885TBXAS1 229/4885
US-20240174589-A1 PHOTOREDOX RADICAL BENZYLATION PROCESS H1-2, H1-3, H1-0 IDH1 287/4885HSP90AA1 3113/4885TBXAS1 417/4885

“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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