SCHEMBL6787348

SCHEMBL6787348

O=C1CCC(Oc2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 13/20 0.49
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
FAAH O00519 1/20 0.42
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
ADRB2 P07550 1/20 0.40
FPR2 P25090 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40
PARP10 Q53GL7 1/20 0.40

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
SCHEMBL9572112 0.83 EPHX2 (0.57) EPHX2FAAHADRB2PARP10
SCHEMBL30045 0.83 EPHX2 (0.57) EPHX2FAAHADRB2PARP10
SCHEMBL9572108 0.83 EPHX2 (0.57) EPHX2FAAHADRB2PARP10
SCHEMBL2016296 0.82 EPHX2 (0.43) EPHX2PARP10
SCHEMBL7660770 0.81 SMN1; SMN2 (0.51) EPHX2MMP13FPR2PROKR1PARP10
SCHEMBL7873487 0.81 ESR2 (0.53) EPHX2FAAHPARP10
SCHEMBL18234087 0.81 HTR2A (0.42) EPHX2HTR2AHTR7FPR2PROKR1
SCHEMBL5520546 0.81 SLC6A4 (0.51) EPHX2HTR2AHTR7FAAHMMP12
SCHEMBL14308599 0.80 TEAD1 (0.51) EPHX2MMP12MMP13ADRB2FPR2
SCHEMBL146600 0.80 HRH1 (0.57) EPHX2HTR2AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825230-B2 PEROXY COMPOUNDS SUCH AS ADAMANTANE-2-SPIRO-3'-8'-((1'S)-10'-CAMPHORSULFONYL)-1',2',4'-TRIOXA-8' -AZASPIRO(4.5) DECANE, USED FOR PROPHYLAXIS OF MALARIA OR SCHISTOSOMIASIS INFECTIONS MEDICINES FOR MALARIA VENTURE MMV (CH) 2004-11-30 US disclosed
EP-1414813-A1 1,2,4-TRIOXOLANE ANTIMALARIALS Medicines for Malaria Venture (CH) 2004-05-06 EP disclosed
US-20040039008-A1 Spiro and dispiro 1,2,4-trioxolane antimalarials MEDICINES FOR MALARIA VENTURES MMV (CH) 2004-02-26 US disclosed
WO-2003000676-A1 1,2,4-TRIOXOLANE ANTIMALARIALS MEDICINES FOR MALARIA VENTURE (CH) 2003-01-03 WO disclosed
US-5010198-A Intermediates for the synthesis of benzoxazol- and benzothiazolamine derivatives, useful as anti-anoxic agents JANSSEN PHARMACEUTICA N.V. (BE) 1991-04-23 US disclosed
EP-0184257-B1 BENZOXAZOL- AND BENZOTHIAZOLAMINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-25 EP disclosed
US-4861785-A Benzoxazol-and benzothiazolamine derivatives, useful as anti-anoxic agents JANSSEN PHARMACEUTICA N.V. (BE) 1989-08-29 US disclosed
EP-0184257-A1 Benzoxazol- and benzothiazolamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1986-06-11 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-20040039008-A1 Spiro and dispiro 1,2,4-trioxolane antimalarials DHODH, THPO, SQLE EPHX2 266/4885HTR2A 1974/4885HTR7 3763/4885

“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.