SCHEMBL22043340

SCHEMBL22043340

CC(C)OCC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COS)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ AR P10275 2/20 0.53
▸ KMT2A Q03164 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NR2E1 Q9Y466 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ GAA P10253 1/20 0.40
▸ CASR P41180 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ ADRB2 P07550 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ ADRB3 P13945 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38

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
SCHEMBL13190989 0.93 HTT (0.66) HTTHIF1AARKMT2AKDM4E
SCHEMBL12267326 0.87 HTT (0.59) HTTHIF1AARKMT2AKDM4E
SCHEMBL19677468 0.87 HTT (0.59) HTTHIF1AARKMT2AKDM4E
SCHEMBL19193322 0.86 HTT (0.58) HTTHIF1AARKMT2AKDM4E
SCHEMBL27378768 0.86 HTT (0.58) HTTHIF1AARKMT2AKDM4E
SCHEMBL12267322 0.86 AR (0.72) HTTHIF1AARKMT2AKDM4E
SCHEMBL26461593 0.85 HTT (0.57) HTTHIF1AARKMT2AKDM4E
SCHEMBL22043203 0.85 HTT (0.57) HTTHIF1AARKMT2AKDM4E
SCHEMBL12267192 0.84 AR (0.61) HTTHIF1AARKMT2AKDM4E
SCHEMBL12267197 0.84 HTT (0.56) HTTHIF1AARKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200172663-A1 POLYMER-LIPIDS AND COMPOSITIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2020-06-04 — — 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 (1 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-20200172663-A1 POLYMER-LIPIDS AND COMPOSITIONS PHOSPHO1, PEBP1, PBDC1 HTT 2763/4885HIF1A 4273/4885AR 2904/4885

“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