SCHEMBL17826417

SCHEMBL17826417

Cc1cc(C)c(C(C)(C)C)cc1Sc1cc(C(C)(C)C)c(C)cc1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
ALOX15 P16050 3/20 0.67
HIF1A Q16665 2/20 0.67
TP53 P04637 1/20 0.67
CYP3A4 P08684 1/20 0.67
TSHR P16473 1/20 0.67
MAPK1 P28482 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
CA2 P00918 2/20 0.34
POLB P06746 2/20 0.34
TYR P14679 1/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ATP2A2 P16615 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
SCHEMBL10000644 0.88 ALOX15 (0.89) ALDH1A1SMN1; SMN2ALOX15HIF1ATP53
SCHEMBL25499770 0.84 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2ALOX15HIF1ATP53
SCHEMBL39505 0.80 ALOX15 (1.00) ALDH1A1SMN1; SMN2ALOX15HIF1ATP53
SCHEMBL29366086 0.80 ALOX15 (1.00) ALDH1A1SMN1; SMN2ALOX15HIF1ATP53
SCHEMBL31295681 0.80 ALOX15 (1.00) ALDH1A1SMN1; SMN2ALOX15HIF1ATP53
SCHEMBL27489165 0.79 CYP2C9 (0.44) ALDH1A1SMN1; SMN2ALOX15HIF1ATP53
SCHEMBL17826404 0.76 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2ALOX15HIF1ATP53
SCHEMBL21941802 0.76 CYP2C9 (0.42) ALDH1A1SMN1; SMN2ALOX15HIF1ATP53
SCHEMBL21500716 0.76 CYP2C9 (0.46) ALDH1A1SMN1; SMN2ALOX15HIF1ATP53
SCHEMBL10039800 0.76 ALOX15 (0.85) ALDH1A1SMN1; SMN2ALOX15HIF1ATP53

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
US-9732296-B2 Fuel markers and methods of producing and using same AUTHENTIX, INC. (US) 2017-08-15 US disclosed
US-9631152-B2 Fuel markers and methods of producing and using same AUTHENTIX, INC. (US) 2017-04-25 US disclosed
US-20160272905-A1 Fuel Markers and Methods of Producing and Using Same AUTHENTIX, INC. 2016-09-22 US disclosed
US-9366661-B1 Fuel markers and methods of producing and using same AUTHENTIX, INC. (US) 2016-06-14 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-20160272905-A1 Fuel Markers and Methods of Producing and Using Same CBR1, CBR3, FADS1 ALDH1A1 1281/4885SMN1; SMN2 3915/4885ALOX15 509/4885

“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.