SCHEMBL21935482

SCHEMBL21935482

C#CCC(O)c1ccc(NC(=O)C(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NPSR1 Q6W5P4 3/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
MLYCD O95822 1/20 0.44
CYP2C9 P11712 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 2/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL21935483 0.88 MEN1 (0.37) ALDH1A1KMT2AMAPTMEN1NPSR1
SCHEMBL25409652 0.79 LMNA (0.40) KMT2AMAPTMEN1NPSR1RAB9A
SCHEMBL25409646 0.79 LMNA (0.40) KMT2AMAPTMEN1NPSR1RAB9A
SCHEMBL13306594 0.78 KMT2A (0.50) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL6535180 0.78 KMT2A (0.50) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL18880072 0.76 ALDH1A1 (0.73) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL19896651 0.76 TAAR1 (0.39) ALDH1A1SMN1; SMN2CYP2C9L3MBTL1KDM4E
SCHEMBL103862 0.75 KMT2A (0.61) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL14072820 0.74 ALDH1A1 (0.56) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL9891809 0.72 TSHR (0.66) ALDH1A1KMT2AMAPTMEN1RXFP1

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-11241501-B2 Anticancer prodrug for overcoming drug resistance KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2022-02-08 US disclosed
US-20200129626-A1 ANTICANCER PRODRUG FOR OVERCOMING DRUG RESISTANCE KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2020-04-30 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 (2 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-11241501-B2 Anticancer prodrug for overcoming drug resistance PDK2, PDK3, PDK1 ALDH1A1 521/4885KMT2A 1988/4885MAPT 2816/4885
US-20200129626-A1 ANTICANCER PRODRUG FOR OVERCOMING DRUG RESISTANCE PDK2, PDK3, PDK1 ALDH1A1 521/4885KMT2A 1988/4885MAPT 2816/4885

“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.