Sugi Predict

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SCHEMBL17826412

SCHEMBL17826412

CCCCCOc1cc(C)c(C(CCC)c2cc(C(C)(C)C)c(C)cc2C)cc1C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ THRA P10827 2/20 0.37
▸ THRB P10828 2/20 0.37
▸ ESR1 P03372 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CYSLTR2 Q9NS75 1/20 0.32
▸ CYSLTR1 Q9Y271 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ S1PR5 Q9H228 2/20 0.31

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
SCHEMBL19114015 0.89 ALOX15 (0.71) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL16507530 0.88 TP53 (0.49) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL15890455 0.84 TP53 (0.59) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL30172499 0.81 TP53 (0.49) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL380845 0.81 TP53 (0.49) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL20831534 0.79 TP53 (0.53) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL22215694 0.79 TP53 (0.47) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL22215907 0.78 CYP2D6 (0.55) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL10358815 0.78 TP53 (0.46) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL17826404 0.77 ALDH1A1 (0.43) TP53ALOX15THRATHRBESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170306255-A1 Fuel Markers and Methods of Producing and Using Same AUTHENTIX, INC. 2017-10-26 — — US disclosed
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-20160272906-A1 Fuel Markers and Methods of Producing and Using Same AUTHENTIX, INC. 2016-09-22 — — US disclosed
US-20160272907-A1 Fuel Markers and Methods of Producing and Using Same AUTHENTIX, INC. 2016-09-22 — — 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 (3 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 TP53 4357/4885CYP2D6 1141/4885CYP2C9 1209/4885
US-20170306255-A1 Fuel Markers and Methods of Producing and Using Same CBR1, CBR3, FADS1 TP53 4357/4885CYP2D6 1141/4885CYP2C9 1209/4885
US-20160272907-A1 Fuel Markers and Methods of Producing and Using Same CBR3, CBR1, CYC1 TP53 4053/4885CYP2D6 1587/4885CYP2C9 1459/4885

“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.