SCHEMBL19981037

SCHEMBL19981037

CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)COc5ccccc5)nc43)[C@@H](OCOCOCCC#N)[C@H]2O[Si](C(C)C)(C(C)C)O1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.36
▸ TAS1R3 Q7RTX0 2/20 0.35
▸ TAS1R1 Q7RTX1 2/20 0.35
▸ NPC1 O15118 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ ADORA1 P30542 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
SCHEMBL15892162 1.00 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AKDM4ETAS1R3
SCHEMBL15850631 1.00 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AKDM4ETAS1R3
SCHEMBL15060563 0.88 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AKDM4ETAS1R3
SCHEMBL12434623 0.88 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AKDM4ETAS1R3
SCHEMBL15850632 0.85 TAS1R3 (0.46) ALDH1A1MEN1KMT2AKDM4ETAS1R3
SCHEMBL19981039 0.85 TAS1R3 (0.46) ALDH1A1MEN1KMT2AKDM4ETAS1R3
SCHEMBL15892164 0.85 TAS1R3 (0.46) ALDH1A1MEN1KMT2AKDM4ETAS1R3
SCHEMBL20215731 0.85 TAS1R3 (0.46) ALDH1A1MEN1KMT2AKDM4ETAS1R3
SCHEMBL17853312 0.82 — —
SCHEMBL15892169 0.81 TAS1R3 (0.44) ALDH1A1MEN1KMT2AKDM4ETAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10377788-B2 Method for producing glycoside compounds BONAC CORPORATION (JP) 2019-08-13 — — US disclosed
US-20180079768-A1 METHOD FOR PRODUCING GLYCOSIDE COMPOUNDS BONAC CORPORATION (JP) 2018-03-22 — — 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-10377788-B2 Method for producing glycoside compounds TST, DIMT1, DERA ALDH1A1 808/4885MEN1 1456/4885KMT2A 1183/4885
US-20180079768-A1 METHOD FOR PRODUCING GLYCOSIDE COMPOUNDS TST, DIMT1, DERA ALDH1A1 808/4885MEN1 1456/4885KMT2A 1183/4885

“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.

Send feedback