SCHEMBL1879751

SCHEMBL1879751

C=CCC(C=CC(=O)OCC)CCF

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.41
MAPT P10636 5/20 0.35
ALDH1A1 P00352 3/20 0.35
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
NPSR1 Q6W5P4 2/20 0.33
TTR P02766 1/20 0.31
DPP4 P27487 1/20 0.31
LMNA P02545 3/20 0.31
MDM2 Q00987 2/20 0.31
MDM4 O15151 1/20 0.31
SOAT1 P35610 1/20 0.31
XPO1 O14980 1/20 0.30
TP53 P04637 1/20 0.30
XBP1 P17861 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL1879749 1.00 HCAR2 (0.41) HCAR2MAPTALDH1A1CA12CA1
SCHEMBL1886728 0.88 HCAR2 (0.41) HCAR2MAPTALDH1A1CA12CA1
SCHEMBL1886727 0.88 HCAR2 (0.41) HCAR2MAPTALDH1A1CA12CA1
SCHEMBL3373838 0.78 GABRP (0.32) MAPTNPSR1LMNA
SCHEMBL3373832 0.78 GABRP (0.32) MAPTNPSR1LMNA
SCHEMBL11805200 0.74 HCAR2 (0.54) HCAR2MAPTALDH1A1CA12CA1
SCHEMBL11805194 0.74 HCAR2 (0.54) HCAR2MAPTALDH1A1CA12CA1
SCHEMBL10998334 0.71 HCAR2 (0.47) HCAR2MAPTALDH1A1CA12CA1
SCHEMBL22465645 0.70 HCAR2 (0.46) HCAR2MAPTALDH1A1CA12CA1
SCHEMBL22627138 0.70 HCAR2 (0.46) HCAR2MAPTALDH1A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947738-B2 Bicyclic γ-amino acid derivative DAIICHI SANKYO COMPANY, LTD. (JP) 2011-05-24 US disclosed
US-20100249229-A1 BICYCLIC gamma-AMINO ACID DERIVATIVE DAIICHI SANKYO COMPANY, LTD. (JP) 2010-09-30 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-20100249229-A1 BICYCLIC gamma-AMINO ACID DERIVATIVE GLRA2, GLRB, BCAT1 HCAR2 48/4885MAPT 3962/4885ALDH1A1 521/4885

“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.