SCHEMBL21162209

SCHEMBL21162209

O=C(CCc1ncc[nH]1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.58
NR4A1 P22736 1/20 0.52
NR4A2 P43354 1/20 0.52
NR4A3 Q92570 1/20 0.52
MAOB P27338 1/20 0.50
CYP19A1 P11511 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
PARP10 Q53GL7 1/20 0.50
ALOX5 P09917 1/20 0.49
RAB9A P51151 2/20 0.49
SRD5A2 P31213 1/20 0.49
NPC1 O15118 1/20 0.49
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL6947467 0.84 TBXAS1 (0.54) NR4A2RAB9ANPC1ALDH1A1GAA
SCHEMBL1557011 0.81 FFAR1 (0.71) EGFRNR4A1NR4A2NR4A3MAOB
SCHEMBL8637323 0.80 TAAR1 (0.53) MAOBRAB9ANPC1GAAMAPT
SCHEMBL8307657 0.78 LTA4H (0.56) ALOX5FFAR1FFAR4
SCHEMBL22664707 0.77 FFAR1 (0.74) EGFRNR4A1NR4A2NR4A3MAOB
SCHEMBL11473805 0.77 SMN1; SMN2 (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2CES1
SCHEMBL11702882 0.76 TAAR1 (0.73) MAOBRAB9ANPC1GAAMAPT
SCHEMBL6811506 0.76 EGFR (0.69) EGFRNR4A1NR4A2NR4A3MAOB
SCHEMBL958582 0.76 EGFR (0.69) EGFRNR4A1NR4A2NR4A3MAOB
SCHEMBL11264743 0.74 TAAR1 (0.56) FFAR1ALDH1A1GAASMN1; SMN2L3MBTL1

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-10344001-B2 Azolylacryloyl derivatives as therapeutic agents for sickle cell disease VIRGINIA COMMONWEALTH UNIVERSITY (US) 2019-07-09 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-10344001-B2 Azolylacryloyl derivatives as therapeutic agents for sickle cell disease HBG1, HIF1AN, TNNI3 EGFR 4762/4885NR4A1 4451/4885NR4A2 4114/4885

“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.