SCHEMBL10033763

SCHEMBL10033763

CCC1=C(C)C(=O)C(O)CC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33

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
SCHEMBL14041198 0.86 MAPT (0.40) MAPTIDO1TDO2
SCHEMBL13063080 0.83 MAPT (0.39) MAPTIDO1TDO2
SCHEMBL13542717 0.77 MAPT (0.43) MAPT
SCHEMBL14279199 0.76 MAPT (0.46) MAPTIDO1TDO2
SCHEMBL13479444 0.76 MAPT (0.46) MAPTIDO1TDO2
SCHEMBL19231532 0.76 MAPT (0.46) MAPTIDO1TDO2
SCHEMBL11223105 0.75 MAPT (0.45) MAPTIDO1TDO2
SCHEMBL11028267 0.75 MAPT (0.45) MAPTIDO1TDO2
SCHEMBL14494221 0.74 MAPT (0.40) MAPTIDO1TDO2
SCHEMBL16389606 0.74 MAPT (0.35) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448517-B1 METHOD OF PREPARING 4-CHLORO-3-METHYL-2-BUTENYLPHENYL SULFIDE, DI(4-CHLORO-3-METHYL-2-BUTENYL)SULFIDE AND DI(4-CHLORO-3-METHYL-2-BUTENYL)SULFONE FOR SYNTHESIS OF NATURAL CAROTENOID PRODUCTS SK INNOVATION CO LTD (KR) 2012-04-18 EP disclosed
US-8063101-B2 Carotenoid analogs and derivatives for the prevention of platelet aggregation CARDAX PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-20090124574-A1 Carotenoid analogs and derivatives for the prevention of platelet aggregation CARDAX PHARMA, INC. 2009-05-14 US disclosed
US-20070238793-A1 Structural carotenoid analogs or derivatives for the modulation of systemic and/or target organ redox status CARDAX PHARMACEUTICALS, INC. 2007-10-11 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 (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-20070238793-A1 Structural carotenoid analogs or derivatives for the modulation of systemic and/or target organ redox status LPO, TXN2, TXNRD2 MAPT 3121/4885IDO1 617/4885TDO2 125/4885
US-20090124574-A1 Carotenoid analogs and derivatives for the prevention of platelet aggregation PROC, PFKP, PF4 MAPT 4493/4885IDO1 2503/4885TDO2 1775/4885

“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.