Sugi Predict

Sugi Predict / Compounds / SCHEMBL4497170

SCHEMBL4497170

SCHEMBL4497170

CCN(C(=O)OC(C)(C)C)c1cccc(CO)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 1/20 0.39
▸ HDAC8 Q9BY41 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ S1PR1 P21453 6/20 0.37
▸ ITGB1 P05556 1/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ PDK1 Q15118 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ PDK3 Q15120 1/20 0.36
▸ PDK4 Q16654 1/20 0.36
▸ F2 P00734 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35

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
SCHEMBL2798823 0.89 MTNR1B (0.40) MTNR1BHDAC8S1PR1ITGB1ITGA4
SCHEMBL16141841 0.84 L3MBTL1 (0.38) MTNR1BHDAC8TSHRITGB1ITGA4
SCHEMBL6627245 0.84 MTNR1B (0.41) MTNR1BTSHRS1PR1PDK1PDK2
SCHEMBL4461274 0.83 ALDH1A1 (0.50) MTNR1BHDAC8ALDH1A1GLATSHR
SCHEMBL18055477 0.83 BRD4 (0.49) MTNR1BPDK1PDK2PDK3PDK4
SCHEMBL4840795 0.82 PPARG (0.41) HDAC8ALDH1A1GLATSHRHDAC1
SCHEMBL12707645 0.82 HDAC8 (0.56) HDAC8ALDH1A1GLATSHRF2
SCHEMBL18401327 0.82 ALDH1A1 (0.39) HDAC8ALDH1A1GLATSHRITGB1
SCHEMBL2822819 0.82 MTNR1B (0.40) MTNR1BTSHRS1PR1PDK1PDK2
SCHEMBL1600710 0.82 HDAC8 (0.41) MTNR1BHDAC8ALDH1A1GLATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180065909-A1 METHODS FOR meta-ARYLATION OF AROMATIC ALCOHOLS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2018-03-08 — — US disclosed
US-20180065909-A1 METHODS FOR meta-ARYLATION OF AROMATIC ALCOHOLS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2018-03-08 — — US disclosed
US-7566716-B2 Imidazopyrazines as Raf inhibitor compounds ARRAY BIOPHARMA INC. (US) 2009-07-28 — — US disclosed
US-7566716-B2 Imidazopyrazines as Raf inhibitor compounds ARRAY BIOPHARMA INC. (US) 2009-07-28 — — US disclosed
US-7566716-B2 Imidazopyrazines as Raf inhibitor compounds ARRAY BIOPHARMA INC. (US) 2009-07-28 — — US disclosed
US-20060281751-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA, INC. 2006-12-14 — — 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 (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-20060281751-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF MTNR1B 3985/4885HDAC8 2098/4885ALDH1A1 1780/4885
US-20180065909-A1 METHODS FOR meta-ARYLATION OF AROMATIC ALCOHOLS ADH1C, ADH1A, ADH5 MTNR1B 3814/4885HDAC8 694/4885ALDH1A1 11/4885

“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.