SCHEMBL12760719

SCHEMBL12760719

CC1=C(Cc2ccc(C(F)(F)F)cc2)C(=O)c2cc(C)ccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 3/20 0.50
▸ MAOB P27338 3/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ IDH1 O75874 1/20 0.44
▸ ELANE P08246 1/20 0.41
▸ TBXAS1 P24557 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ ALKBH3 Q96Q83 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL29906394 1.00 MAOA (0.50) MAOAMAOBHSP90AA1IDH1ELANE
SCHEMBL12822344 1.00 MAOA (0.50) MAOAMAOBHSP90AA1IDH1ELANE
SCHEMBL12965472 0.88 CHRM5 (0.47) MAOAMAOBHSP90AA1IDH1TBXAS1
SCHEMBL12822037 0.88 CHRM5 (0.47) MAOAMAOBHSP90AA1IDH1TBXAS1
SCHEMBL29906466 0.87 IDH1 (0.44) HSP90AA1IDH1TBXAS1BCHEACHE
SCHEMBL12822356 0.87 IDH1 (0.44) HSP90AA1IDH1TBXAS1BCHEACHE
SCHEMBL17988772 0.87 MAOA (0.61) MAOAMAOBHSP90AA1ELANETBXAS1
SCHEMBL17988773 0.87 MAOA (0.61) MAOAMAOBHSP90AA1ELANETBXAS1
SCHEMBL12822280 0.87 ESR1 (0.42) MAOAMAOBHSP90AA1IDH1TBXAS1
SCHEMBL15700245 0.87 P2RX3 (0.42) HSP90AA1IDH1TBXAS1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-2505583-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) 2012-10-03 — — EP disclosed
EP-2505583-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) 2012-10-03 — — 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-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 MAOA 380/4885MAOB 523/4885HSP90AA1 868/4885

“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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