SCHEMBL21729686

SCHEMBL21729686

CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@@H]2C1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.66
KMT2A Q03164 3/20 0.63
RAB9A P51151 2/20 0.63
MEN1 O00255 2/20 0.63
SMN1; SMN2 Q16637 4/20 0.61
HTT P42858 3/20 0.61
LMNA P02545 1/20 0.61
KDM4E B2RXH2 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.59
TSHR P16473 2/20 0.58
USP2 O75604 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MAPK1 P28482 2/20 0.56
TDP1 Q9NUW8 1/20 0.55
PKM P14618 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
POLB P06746 1/20 0.50

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
SCHEMBL17470589 1.00 ALDH1A1 (0.66) ALDH1A1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL522134 1.00 ALDH1A1 (0.66) ALDH1A1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL20022939 0.87 ALDH1A1 (0.56) ALDH1A1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL5862604 0.84 ALDH1A1 (0.72) ALDH1A1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL14344292 0.83 ALDH1A1 (0.84) ALDH1A1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL10022041 0.83 ALDH1A1 (0.70) ALDH1A1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL13528565 0.83 ALDH1A1 (0.84) ALDH1A1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL11529889 0.81 ALDH1A1 (0.79) ALDH1A1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL11594277 0.80 ALDH1A1 (0.83) ALDH1A1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL28513627 0.80 ALDH1A1 (0.56) ALDH1A1KMT2ARAB9AMEN1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210386861-A1 BRUSH PRODRUGS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-12-16 US disclosed
US-10988491-B2 Degradable polymers of a cyclic silyl ether and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-04-27 US disclosed
US-20200055879-A1 DEGRADABLE POLYMERS OF A CYCLIC SILYL ETHER AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2020-02-20 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 (3 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-20210386861-A1 BRUSH PRODRUGS AND USES THEREOF ABCB11, SI, ABCB1 ALDH1A1 789/4885KMT2A 2639/4885RAB9A 2169/4885
US-20200055879-A1 DEGRADABLE POLYMERS OF A CYCLIC SILYL ETHER AND USES THEREOF SI, ILK, PCNA ALDH1A1 2604/4885KMT2A 2882/4885RAB9A 3208/4885
US-10988491-B2 Degradable polymers of a cyclic silyl ether and uses thereof SI, ILK, PCNA ALDH1A1 2604/4885KMT2A 2882/4885RAB9A 3208/4885

“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.