SCHEMBL6036829

SCHEMBL6036829

CC1(C)CC(=NO)CC(C)(C)C1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
ALOX15 P16050 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
CHRNA7 P36544 1/20 0.30

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
SCHEMBL15725712 0.84 ALDH1A1 (0.45) ALDH1A1
SCHEMBL2735547 0.79
SCHEMBL6922236 0.79
SCHEMBL13906989 0.78 ALDH1A1 (0.48) ALDH1A1TSHRCASP1ALOX15L3MBTL1
SCHEMBL4278112 0.77 ALDH1A1 (0.67) ALDH1A1TSHRCASP1L3MBTL1CHRNA7
SCHEMBL1878801 0.75 ALDH1A1 (0.46) ALDH1A1TSHRCASP1L3MBTL1CHRNA7
SCHEMBL1878800 0.75 ALDH1A1 (0.46) ALDH1A1TSHRCASP1L3MBTL1CHRNA7
SCHEMBL6922892 0.75 ALDH1A1 (0.46) ALDH1A1TSHRCASP1L3MBTL1CHRNA7
SCHEMBL22214361 0.74 ALDH1A1 (0.50) ALDH1A1TSHRCASP1L3MBTL1
SCHEMBL4877698 0.70 ALDH1A1 (1.00) ALDH1A1TSHRCASP1

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-9411226-B2 Chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-08-09 US disclosed
US-9411226-B2 Chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-08-09 US disclosed
EP-1414813-B1 1,2,4-TRIOXOLANE ANTIMALARIALS MEDICINES MALARIA VENTURE MMV (CH) 2006-09-13 EP disclosed
US-6906205-B2 Spiro and dispiro 1,2,4-trioxolane antimalarials MEDICINES FOR MALARIA VENTURE MMV (CH) 2005-06-14 US disclosed
US-20040186168-A1 Such as spiroadamantane on one side and 4-substituted spiro-cyclohexyl on other side; structurally simple, nontoxic, easy synthesis, potent parasiticides MEDICINES FOR MALARIA VENTURE MMV (CH) 2004-09-23 US disclosed
EP-1414813-A1 1,2,4-TRIOXOLANE ANTIMALARIALS Medicines for Malaria Venture (CH) 2004-05-06 EP disclosed
WO-2003000676-A1 1,2,4-TRIOXOLANE ANTIMALARIALS MEDICINES FOR MALARIA VENTURE (CH) 2003-01-03 WO disclosed
US-6486199-B1 Spiro and dispiro 1,2,4-trioxolane antimalarials MEDICINES FOR MALARIA VENTURE MMV INTERNATIONAL CENTRE COINTRIN (CH) 2002-11-26 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 (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-20040186168-A1 Such as spiroadamantane on one side and 4-substituted spiro-cyclohexyl on other side; structurally simple, nontoxic, easy synthesis, potent parasiticides DHODH, SQLE, SULT1E1 ALDH1A1 135/4885TSHR 2043/4885CASP1 719/4885

“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.