SCHEMBL25975237

SCHEMBL25975237

CCOC(=O)/C=C(\C)C(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.56
HCAR2 Q8TDS4 1/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
HSD17B10 Q99714 1/20 0.46
GLO1 Q04760 1/20 0.45
TRPA1 O75762 1/20 0.41
ALOX15 P16050 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
MAPT P10636 3/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 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
SCHEMBL30350892 1.00 NPSR1 (0.56) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL10971540 0.84 NPSR1 (0.54) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL598484 0.84 NPSR1 (0.54) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL1321694 0.84 NPSR1 (0.65) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL10971539 0.84 NPSR1 (0.54) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL5612231 0.84 NPSR1 (0.65) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL5667523 0.84 NPSR1 (0.65) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL7638720 0.82 NPSR1 (0.57) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL8976372 0.82 NPSR1 (0.52) NPSR1HCAR2ALDH1A1LMNAHSD17B10
Ethane SCHEMBL28049845 0.82 NPSR1 (0.63) NPSR1HCAR2ALDH1A1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257398-A1 PYRIMIDINE-BASED TRICYCLIC COMPOUND AND USE THEREOF CHIA TAL TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-17 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-20230257398-A1 PYRIMIDINE-BASED TRICYCLIC COMPOUND AND USE THEREOF TYMP, TYMS, DPYD NPSR1 2891/4885HCAR2 1269/4885ALDH1A1 1062/4885

“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.