SCHEMBL31404067

SCHEMBL31404067

O=C(O)CCCC/C=C(\COc1cccc2ccccc12)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.62
▸ ALDH1A1 P00352 4/20 0.62
▸ HPGD P15428 3/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ CNR2 P34972 1/20 0.48
▸ OGG1 O15527 1/20 0.47
▸ TBXAS1 P24557 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MCL1 Q07820 2/20 0.44
▸ ATM Q13315 1/20 0.43
▸ DAPK1 P53355 1/20 0.42
▸ PIM3 Q86V86 1/20 0.42

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
SCHEMBL12113399 0.89 ALDH1A1 (0.53) KDM4EALDH1A1HPGDTDP1CNR2
SCHEMBL12116456 0.88 ALDH1A1 (0.55) KDM4EALDH1A1HPGDTDP1CNR2
SCHEMBL3816749 0.83 ALDH1A1 (0.55) KDM4EALDH1A1HPGDTDP1OGG1
SCHEMBL3816745 0.83 ALDH1A1 (0.55) KDM4EALDH1A1HPGDTDP1OGG1
SCHEMBL1308523 0.82 HPGD (0.49) KDM4EALDH1A1HPGDTDP1CNR2
SCHEMBL1308527 0.82 HPGD (0.49) KDM4EALDH1A1HPGDTDP1CNR2
SCHEMBL1308003 0.81 KMT2A (0.48) KDM4EALDH1A1HPGDTDP1LMNA
SCHEMBL1308006 0.81 KMT2A (0.48) KDM4EALDH1A1HPGDTDP1LMNA
SCHEMBL1307346 0.81 ALDH1A1 (0.47) KDM4EALDH1A1HPGDTDP1CNR2
SCHEMBL1307343 0.81 ALDH1A1 (0.47) KDM4EALDH1A1HPGDTDP1CNR2

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-12194002-B2 Compositions and methods to improve the therapeutic benefit of suboptimally administered chemical compounds including substituted hexitols such as dibromodulcitol BROWN DENNIS (US) 2025-01-14 — — 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-12194002-B2 Compositions and methods to improve the therapeutic benefit of suboptimally administered chemical compounds including substituted hexitols such as dibromodulcitol HEXD, DDOST, PAICS KDM4E 1849/4885ALDH1A1 658/4885HPGD 594/4885

“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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