SCHEMBL22656715

SCHEMBL22656715

COC(=O)c1cc(OCC(=O)NC23CC(CCCCCCCCCC(NC(=O)COc4ccc5c(c4)OC(F)(F)O5)C2)C3)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
TSHR P16473 2/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ATF4 P18848 4/20 0.39
KDM4E B2RXH2 1/20 0.38
ESR1 P03372 1/20 0.38
POLB P06746 1/20 0.38
NR4A1 P22736 1/20 0.38
APEX1 P27695 1/20 0.38
ESR2 Q92731 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL22656677 0.85 ALDH1A1 (0.48) ALDH1A1HPGDTSHRKMT2AMEN1
SCHEMBL19555317 0.83 ATF4 (0.48) ALDH1A1HPGDTSHRRAB9AATF4
SCHEMBL22656611 0.81 ALDH1A1 (0.44) ALDH1A1HPGDTSHRKMT2AMEN1
SCHEMBL22656577 0.80 KMT2A (0.51) ALDH1A1HPGDTSHRKMT2AMEN1
SCHEMBL22656652 0.80 ALDH1A1 (0.43) ALDH1A1HPGDTSHRKMT2AMEN1
SCHEMBL19569744 0.80 RAB9A (0.43) ALDH1A1HPGDTSHRKMT2ANPC1
SCHEMBL22612538 0.77 ALDH1A1 (0.39) ALDH1A1HPGDTSHRKMT2AMEN1
SCHEMBL22656506 0.77 ATF4 (0.56) NPC1RAB9AATF4
SCHEMBL22656711 0.75 ATF4 (0.52) KMT2AMEN1NPC1RAB9AATF4
SCHEMBL22669379 0.75 RAB9A (0.42) ALDH1A1HPGDTSHRKMT2AMEN1

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-20200361941-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2020-11-19 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-20200361941-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 ALDH1A1 3433/4885HPGD 849/4885TSHR 3921/4885

“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.