SCHEMBL21482463

SCHEMBL21482463

C=CC(C)CSc1nnnn1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.61
▸ LMNA P02545 4/20 0.59
▸ TSHR P16473 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ HPGD P15428 1/20 0.59
▸ MAPT P10636 3/20 0.56
▸ POLB P06746 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ TDP1 Q9NUW8 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.49
▸ PKM P14618 1/20 0.49

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
SCHEMBL21482675 0.80 ALDH1A1 (0.62) ALDH1A1LMNATSHRSMN1; SMN2HPGD
SCHEMBL11219399 0.78 ALDH1A1 (0.61) ALDH1A1LMNATSHRSMN1; SMN2HPGD
SCHEMBL12398233 0.77 ALDH1A1 (0.63) ALDH1A1LMNATSHRSMN1; SMN2HPGD
SCHEMBL12532944 0.76 ALDH1A1 (0.61) ALDH1A1LMNATSHRSMN1; SMN2HPGD
SCHEMBL10448232 0.76 ALDH1A1 (1.00) ALDH1A1LMNATSHRSMN1; SMN2HPGD
SCHEMBL17269035 0.75 ALDH1A1 (0.63) ALDH1A1LMNATSHRSMN1; SMN2HPGD
SCHEMBL16522422 0.74 ALDH1A1 (0.62) ALDH1A1LMNATSHRSMN1; SMN2HPGD
SCHEMBL4414411 0.74 ALDH1A1 (0.61) ALDH1A1LMNATSHRSMN1; SMN2HPGD
SCHEMBL21482704 0.74 ALDH1A1 (0.60) ALDH1A1LMNATSHRSMN1; SMN2HPGD
SCHEMBL21482464 0.74 ALDH1A1 (0.71) ALDH1A1LMNATSHRSMN1; SMN2HPGD

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 3225/4885LMNA 806/4885TSHR 4565/4885

“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.

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