SCHEMBL2316481

SCHEMBL2316481

CCOC(=O)C(C)CC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
HSD17B10 Q99714 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 2/20 0.39
ALOX15 P16050 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
CHRM1 P11229 1/20 0.37
ADORA1 P30542 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP8 P22894 1/20 0.36
TRPA1 O75762 1/20 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
SCHEMBL19270620 1.00 ALDH1A1 (0.46) ALDH1A1HSD17B10TDP1LMNACYP3A4
SCHEMBL9674559 0.83 ALDH1A1 (0.43) ALDH1A1HSD17B10TDP1LMNACYP3A4
SCHEMBL9079716 0.82 ALDH1A1 (0.42) ALDH1A1HSD17B10TDP1LMNACYP3A4
SCHEMBL13643227 0.81 GAA (0.50) ALDH1A1HSD17B10TDP1LMNACYP3A4
SCHEMBL17792657 0.81 GAA (0.50) ALDH1A1HSD17B10TDP1LMNACYP3A4
SCHEMBL1878452 0.81 ALDH1A1 (0.42) ALDH1A1HSD17B10LMNACYP3A4CYP2C19
SCHEMBL1245716 0.81 GAA (0.50) ALDH1A1HSD17B10TDP1LMNACYP3A4
SCHEMBL28739690 0.81 ALDH1A1 (0.42) ALDH1A1HSD17B10LMNACYP3A4CYP2C19
SCHEMBL13781599 0.79 ALDH1A1 (0.40) ALDH1A1HSD17B10TDP1LMNACYP3A4
SCHEMBL3998257 0.79 ALDH1A1 (0.50) ALDH1A1TDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240158719-A1 METHOD FOR FRACTIONATING A SHEA EXTRACT BIOSYNTHIS (FR) 2024-05-16 US disclosed
US-20240140888-A1 COMPOSITION COMPRISING AN ALKANE AND AN OXOESTER BIOSYNTHIS (FR) 2024-05-02 US disclosed
EP-4305134-A1 METHOD OF FRACTIONATING A SHEA EXTRACT Biosynthis (FR) 2024-01-17 EP disclosed
US-11834545-B2 Moisture-curing compositions COVESTRO DEUTSCHLAND AG (DE) 2023-12-05 US disclosed
US-20230382917-A1 Heterocyclic Adenosine Receptor Antagonists EXELIXIS, INC. 2023-11-30 US disclosed
CN-108602785-B Novel processes and intermediates 诺华股份有限公司 2023-08-11 CN disclosed
US-11718622-B2 Heterocyclic adenosine receptor antagonists EXELIXIS INC. (US) 2023-08-08 US disclosed
US-11667746-B2 Moisture-curing compositions COVESTRO DEUTSCHLAND AG (DE) 2023-06-06 US disclosed
WO-2022189678-A1 METHOD OF FRACTIONATING A SHEA EXTRACT BIOSYNTHIS (FR) 2022-09-15 WO disclosed
WO-2018015476-A1 METHOD OF CONTROLLING PLANTS SYNGENTA PARTICIPATIONS AG (CH) 2018-01-25 WO disclosed
US-9174969-B2 Indoline scaffold SHP-2 inhibitors and cancer treatment method UNIVERSITY OF SOUTH FLORIDA (US) 2015-11-03 US disclosed
EP-1730204-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SRL (IT) 2011-08-10 EP disclosed
US-20110190315-A1 INDOLINE SCAFFOLD SHP-2 INHIBITORS AND CANCER TREATMENT METHOD UNIVERSITY OF SOUTH FLORIDA (US) 2011-08-04 US disclosed
EP-2011499-A2 Pyrrolo[2,3d]Pyrimidine compositions and their use OSI Pharmaceuticals, Inc. (US) 2009-01-07 EP 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-20240140888-A1 COMPOSITION COMPRISING AN ALKANE AND AN OXOESTER ALKBH2, ABHD12, FAAH2 ALDH1A1 938/4885HSD17B10 568/4885TDP1 2123/4885
US-20230382917-A1 Heterocyclic Adenosine Receptor Antagonists ADORA2A, ADORA1, ADORA3 ALDH1A1 789/4885HSD17B10 3469/4885TDP1 1947/4885
US-11718622-B2 Heterocyclic adenosine receptor antagonists ADORA2A, ADORA1, ADORA3 ALDH1A1 789/4885HSD17B10 3469/4885TDP1 1947/4885
US-20110190315-A1 INDOLINE SCAFFOLD SHP-2 INHIBITORS AND CANCER TREATMENT METHOD PTPN7, PTPN3, PTPN5 ALDH1A1 3520/4885HSD17B10 2635/4885TDP1 4018/4885

“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.