SCHEMBL20109327

SCHEMBL20109327

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.45
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 2/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SOAT1 P35610 1/20 0.33
MDM4 O15151 1/20 0.33
MDM2 Q00987 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL7672001 0.83 HCAR2 (0.50) HCAR2NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL3622266 0.79 HCAR2 (0.54) HCAR2NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL307663 0.77
SCHEMBL17589096 0.76 HCAR2 (0.36) HCAR2NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL20109324 0.75 HCAR2 (0.43) HCAR2NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL14882679 0.72 HCAR2 (0.41) HCAR2NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL6688562 0.72 SOAT1 (0.54) HCAR2NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL1439 0.72
SCHEMBL1440 0.72
SCHEMBL4667392 0.72

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-20180118770-A1 N-Heterocyclic Phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2018-05-03 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-20180118770-A1 N-Heterocyclic Phosphines NANP, PPIP5K2, PHPT1 HCAR2 2793/4885NPSR1 1082/4885ALDH1A1 4621/4885

“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.