Sugi Predict

Sugi Predict / Compounds / SCHEMBL3278212

SCHEMBL3278212

SCHEMBL3278212

COC(=O)[C@@H]1Cc2cc(O)c(O)cc2C(C)(C)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ RECQL P46063 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ KMT2A Q03164 2/20 0.35
▸ BACE1 P56817 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ ALOX15 P16050 1/20 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
SCHEMBL3278208 1.00 ALDH1A1 (0.38) ALDH1A1MAPTRECQLTDP1KDM4E
SCHEMBL14279599 1.00 ALDH1A1 (0.38) ALDH1A1MAPTRECQLTDP1KDM4E
SCHEMBL17601713 0.84 MAPT (0.43) ALDH1A1MAPTRECQLTDP1KDM4E
SCHEMBL14279601 0.84 MAPT (0.43) ALDH1A1MAPTRECQLTDP1KDM4E
SCHEMBL5038936 0.84 MAPT (0.43) ALDH1A1MAPTRECQLTDP1KDM4E
SCHEMBL322379 0.83 SOD1 (0.40) ALDH1A1CYP3A4OPRM1
SCHEMBL17621467 0.82 ALDH1A1 (0.39) ALDH1A1MAPTRECQLTDP1KDM4E
Hydrochloric Acid SCHEMBL15123925 0.82 SOD1 (0.40) ALDH1A1CYP3A4OPRM1
SCHEMBL15130523 0.81 CYP3A4 (0.35) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL24024413 0.80 ALDH1A1 (0.38) ALDH1A1MAPTRECQLTDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130030192-A1 Method of Synthesizing Acetonide-Protected Catechol-Containing Compounds and Intermediates Produced Therein NORTHWESTERN UNIVERSITY 2013-01-31 — — US disclosed
US-8227628-B2 Method of synthesizing acetonide-protected catechol-containing compounds and intermediates produced therein NORTHWESTERN UNIVERSITY (US) 2012-07-24 — — US disclosed
US-20100087622-A1 Method of Synthesizing Acetonide-Protected Catechol-Containing Compounds and Intermediates Produced Therein NORTHWESTERN UNIVERSITY (US) 2010-04-08 — — 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-20100087622-A1 Method of Synthesizing Acetonide-Protected Catechol-Containing Compounds and Intermediates Produced Therein DBH, COMT, PAH ALDH1A1 182/4885MAPT 3973/4885RECQL 3194/4885
US-20130030192-A1 Method of Synthesizing Acetonide-Protected Catechol-Containing Compounds and Intermediates Produced Therein DBH, COMT, PAH ALDH1A1 182/4885MAPT 3973/4885RECQL 3194/4885

“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.