SCHEMBL2045397

SCHEMBL2045397

CCOC(=O)C(C(=O)OCC)=C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
MAPT P10636 5/20 0.41
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GLO1 Q04760 1/20 0.40
TSHR P16473 1/20 0.39
ALOX15 P16050 2/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
GLA P06280 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL3200633 0.91 MAPT (0.39) ALDH1A1MAPTLMNAHSD17B10NPSR1
SCHEMBL450892 0.91 MAPT (0.39) ALDH1A1MAPTLMNAHSD17B10NPSR1
SCHEMBL3179017 0.89 MAPT (0.38) ALDH1A1MAPTLMNAHSD17B10NPSR1
SCHEMBL13269472 0.86 ALDH1A1 (0.41) ALDH1A1MAPTLMNAHSD17B10NPSR1
SCHEMBL24870690 0.86 ADORA1 (0.40) ALDH1A1MAPTNPSR1GLO1ALOX15
SCHEMBL448146 0.86 TSHR (0.43) ALDH1A1MAPTLMNANPSR1TSHR
SCHEMBL13269286 0.85 ALDH1A1 (0.39) ALDH1A1MAPTLMNAHSD17B10NPSR1
SCHEMBL14899078 0.81 MAPT (0.46) ALDH1A1MAPTLMNAHSD17B10NPSR1
SCHEMBL14899076 0.80 MAPT (0.45) ALDH1A1MAPTLMNAHSD17B10NPSR1
SCHEMBL6356446 0.80 GRIK1 (0.39) ALDH1A1MAPTHSD17B10NPSR1GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4540255-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2025-04-23 EP disclosed
WO-2023244615-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2023-12-21 WO disclosed
EP-2331552-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-02-27 EP disclosed
EP-2331552-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-02-27 EP disclosed
EP-2331552-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2011-06-15 EP disclosed
WO-2010036551-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-01 WO disclosed
WO-2010036551-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-01 WO disclosed
US-20100080770-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 US disclosed
US-20100080770-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 US disclosed
US-20100080770-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 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-20100080770-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL ALDH1A1 623/4885MAPT 4108/4885LMNA 3735/4885

“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.