Sugi Predict

Sugi Predict / Compounds / SCHEMBL8865717

SCHEMBL8865717

SCHEMBL8865717

CC#Cc1ccc(OC)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.41
▸ AR P10275 2/20 0.40
▸ ACHE P22303 1/20 0.40
▸ CYP1A1 P04798 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP1B1 Q16678 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ NQO2 P16083 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ PDGFRA P16234 1/20 0.36

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
SCHEMBL28571448 0.89 ACHE (0.44) FFAR1ARACHEMAPTALOX15
SCHEMBL8866413 0.83 AR (0.44) ARACHECYP1A1CYP1A2CYP1B1
SCHEMBL17114052 0.83 ACHE (0.43) FFAR1ARACHEMAPTALOX15
SCHEMBL8864683 0.83 CA2 (0.48) ARACHECYP1A1CYP1A2CYP1B1
SCHEMBL6210745 0.79 AR (0.40) FFAR1ARACHEMAPTALOX15
SCHEMBL4304416 0.79 AR (0.40) FFAR1ARACHECYP1A2CYP1B1
SCHEMBL16961981 0.79 AR (0.40) FFAR1ARACHEMAPTALOX15
SCHEMBL931494 0.79 AR (0.60) ARACHEALDH1A1KDM4EUSP2
SCHEMBL16356819 0.79 PDE4A (0.38) FFAR1ARACHEMAPTALOX15
SCHEMBL4312425 0.79 MAPT (0.40) ARACHEMAPTALOX15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230018615-A1 STEROIDS AND METHODS OF MANUFACTURE TRUSTEES OF DARTMOUTH COLLEGE 2023-01-19 — — US disclosed
US-20200199171-A1 NOVEL STEROIDS AND METHODS OF MANUFACTURE TRUSTEES OF DARTMOUTH COLLEGE 2020-06-25 — — US disclosed
WO-2012069652-A2 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 — — WO disclosed
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 — — US disclosed
WO-2010136475-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-12-02 — — WO 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-20230018615-A1 STEROIDS AND METHODS OF MANUFACTURE HSD17B7, HSD11B1, HSD11B2 FFAR1 1258/4885AR 23/4885ACHE 2860/4885
US-20200199171-A1 NOVEL STEROIDS AND METHODS OF MANUFACTURE CYP21A2, CYP17A1, CYP11B1 FFAR1 1272/4885AR 39/4885ACHE 1077/4885
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES NAT1, NQO2, NOX1 FFAR1 2371/4885AR 3869/4885ACHE 2035/4885

“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.