SCHEMBL21482467

SCHEMBL21482467

C=C(C)CSc1nnnn1-c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.69
POLB P06746 3/20 0.69
MAPT P10636 3/20 0.69
KMT2A Q03164 2/20 0.69
MEN1 O00255 1/20 0.69
SMN1; SMN2 Q16637 2/20 0.60
LMNA P02545 2/20 0.60
HPGD P15428 1/20 0.60
TSHR P16473 1/20 0.60
KDM4E B2RXH2 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
PKM P14618 1/20 0.56

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
SCHEMBL13603959 0.86 ALDH1A1 (0.67) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL11925367 0.85 ALDH1A1 (0.78) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL1610031 0.82 POLB (1.00) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL7992707 0.81 POLB (0.97) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL10448232 0.80 ALDH1A1 (1.00) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL8188675 0.79 ALDH1A1 (0.72) ALDH1A1POLBMAPTKMT2AMEN1
Silver SCHEMBL7992706 0.78 ALDH1A1 (0.76) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL5592639 0.78 ALDH1A1 (0.76) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL10998726 0.77 ALDH1A1 (0.66) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL10970208 0.76 ALDH1A1 (0.71) ALDH1A1POLBMAPTKMT2AMEN1

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-20210163456-A1 CERTAIN PLADIENOLIDE COMPOUNDS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-06-03 US disclosed
WO-2019199667-A2 CERTAIN PLADIENOLIDE COMPOUNDS AND METHODS OF USE KEANEY GREGG F (US) 2019-10-17 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-20210163456-A1 CERTAIN PLADIENOLIDE COMPOUNDS AND METHODS OF USE PLAAT5, PLAAT3, PLAAT4 ALDH1A1 3225/4885POLB 1222/4885MAPT 4316/4885

“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.