SCHEMBL19683939

SCHEMBL19683939

CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@@H]2C1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
TDP1 Q9NUW8 1/20 0.61
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
RAB9A P51151 2/20 0.59
KDM4E B2RXH2 1/20 0.56
TSHR P16473 3/20 0.53
HTT P42858 2/20 0.53
USP2 O75604 2/20 0.53
HSD17B10 Q99714 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 1/20 0.52
RECQL P46063 1/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 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
SCHEMBL22174075 1.00 ALDH1A1 (0.61) ALDH1A1TDP1MEN1KMT2ARAB9A
SCHEMBL19683938 1.00 ALDH1A1 (0.61) ALDH1A1TDP1MEN1KMT2ARAB9A
SCHEMBL12747580 1.00 ALDH1A1 (0.61) ALDH1A1TDP1MEN1KMT2ARAB9A
SCHEMBL278527 1.00 ALDH1A1 (0.61) ALDH1A1TDP1MEN1KMT2ARAB9A
SCHEMBL19444546 1.00 ALDH1A1 (0.61) ALDH1A1TDP1MEN1KMT2ARAB9A
SCHEMBL13291136 1.00 ALDH1A1 (0.61) ALDH1A1TDP1MEN1KMT2ARAB9A
SCHEMBL13534106 0.86 POLB (0.52) ALDH1A1TDP1MEN1KMT2ARAB9A
SCHEMBL13239534 0.86 POLB (0.52) ALDH1A1TDP1MEN1KMT2ARAB9A
SCHEMBL793891 0.86 POLB (0.52) ALDH1A1TDP1MEN1KMT2ARAB9A
SCHEMBL14727215 0.86 ALDH1A1 (0.52) ALDH1A1TDP1MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230068959-A1 BRANCHED MULTI-FUNCTIONAL MACROMONOMERS AND RELATED POLYMERS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-03-02 US disclosed
US-20210284664-A1 DEGRADABLE POLYMERS OF A CYCLIC SILYL ETHER AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-09-16 US disclosed
US-20210220391-A1 PROTEOLYSIS TARGETING CHIMERIC MOLECULES (PROTACS) WITH FUNCTIONAL HANDLES AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-07-22 US disclosed
WO-2021076821-A2 BRUSH PRODRUGS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-04-22 WO disclosed
WO-2020037236-A1 DEGRADABLE POLYMERS OF A CYCLIC SILYL ETHER AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-02-20 WO disclosed
WO-2017214337-A1 DRUG DELIVERY POLYMERS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-12-14 WO disclosed
US-20170348431-A1 DRUG DELIVERY POLYMERS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2017-12-07 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 (4 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-20170348431-A1 DRUG DELIVERY POLYMERS AND USES THEREOF BRAP, PAICS, BRPF1 ALDH1A1 2807/4885TDP1 3223/4885MEN1 915/4885
US-20210284664-A1 DEGRADABLE POLYMERS OF A CYCLIC SILYL ETHER AND USES THEREOF SI, ILK, PCNA ALDH1A1 2604/4885TDP1 3212/4885MEN1 2734/4885
US-20210220391-A1 PROTEOLYSIS TARGETING CHIMERIC MOLECULES (PROTACS) WITH FUNCTIONAL HANDLES AND USES THEREOF CRBN, PSMA6, PSMA3 ALDH1A1 3287/4885TDP1 2968/4885MEN1 3868/4885
US-20230068959-A1 BRANCHED MULTI-FUNCTIONAL MACROMONOMERS AND RELATED POLYMERS AND USES THEREOF MSN, CAD, NEDD8 ALDH1A1 469/4885TDP1 2521/4885MEN1 7/4885

“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.