SCHEMBL19425437

SCHEMBL19425437

O=C(NC1C(=O)/C(=C\C=C\C2CC3(CCCCCCC3)CO2)SC1=S)c1ccccc1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.37
▸ HTT P42858 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MEN1 O00255 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ALPL P05186 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ALPI P09923 1/20 0.34
▸ ALPG P10696 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL20705619 0.79 MEN1 (0.45) KDM4EHTTLMNAALDH1A1HPGD
SCHEMBL19419943 0.72 MAPT (0.62) KDM4EHTTLMNAALDH1A1HPGD
SCHEMBL20705592 0.66 POLB (0.51) KDM4EHTTALDH1A1HPGDNPC1
SCHEMBL20272169 0.63 MEN1 (0.45) KDM4EHTTLMNAALDH1A1HPGD
SCHEMBL14614940 0.57 ALDH1A1 (1.00) KDM4EHTTLMNAALDH1A1HPGD
SCHEMBL19425317 0.57 ALDH1A1 (0.45) KDM4EHTTLMNAALDH1A1HPGD
SCHEMBL12083372 0.56 KDM4E (0.73) KDM4EHTTLMNAALDH1A1HPGD
SCHEMBL30013377 0.53 KDM4E (0.62) KDM4EHTTLMNAALDH1A1HPGD
SCHEMBL4048976 0.53 NPC1 (0.83) KDM4EHTTLMNAALDH1A1HPGD
SCHEMBL5311369 0.51 KDM4E (0.62) KDM4EHTTLMNAALDH1A1HPGD

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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 — — 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 KDM4E 3258/4885HTT 356/4885LMNA 886/4885

“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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