SCHEMBL22033682

SCHEMBL22033682

[CH](C1CCCCCCCCC1)C1CCCCCCCCC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
ADH1A P07327 2/20 0.32
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH4 P08319 1/20 0.32
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL11001515 1.00 ALDH1A1 (0.33) ALDH1A1HSD17B10ADH1AADH1BADH1C
SCHEMBL1524657 1.00 ALDH1A1 (0.33) ALDH1A1HSD17B10ADH1AADH1BADH1C
SCHEMBL10494046 1.00 ALDH1A1 (0.33) ALDH1A1HSD17B10ADH1AADH1BADH1C
SCHEMBL22033837 1.00 ALDH1A1 (0.33) ALDH1A1HSD17B10ADH1AADH1BADH1C
SCHEMBL1173999 1.00 ALDH1A1 (0.33) ALDH1A1HSD17B10ADH1AADH1BADH1C
SCHEMBL6101790 1.00 ALDH1A1 (0.33) ALDH1A1HSD17B10ADH1AADH1BADH1C
SCHEMBL9004375 0.96 ALDH1A1 (0.32) ALDH1A1HSD17B10ADH1AADH1BADH1C
SCHEMBL3883393 0.96 ALDH1A1 (0.32) ALDH1A1HSD17B10ADH1AADH1BADH1C
SCHEMBL491425 0.96 ALDH1A1 (0.36) ALDH1A1
SCHEMBL984941 0.92

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024926-A1 A1 ADENOSINE RECEPTOR AGONISTS AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-01-27 US claimed
WO-2020118139-A1 A1 ADENOSINE RECEPTOR AGONISTS AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-06-11 WO claimed
US-20220024926-A1 A1 ADENOSINE RECEPTOR AGONISTS AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-01-27 US disclosed
WO-2020118139-A1 A1 ADENOSINE RECEPTOR AGONISTS AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-06-11 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 (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-20220024926-A1 A1 ADENOSINE RECEPTOR AGONISTS AND METHODS OF USE THEREOF ADORA1, ADORA2A, ADORA2B ALDH1A1 231/4885HSD17B10 1211/4885ADH1A 316/4885

“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.