SCHEMBL10119331

SCHEMBL10119331

C=C(C)C(=O)NCC12CCC(CC1)C2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
EPHX2 P34913 7/20 0.39
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.34
P2RX7 Q99572 5/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 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
SCHEMBL10119330 0.77 ALDH1A1 (0.41) HSD17B10ALDH1A1TSHREPHX2HTT
SCHEMBL13506274 0.77 MAPT (0.44) HSD17B10ALDH1A1TSHREPHX2HTT
SCHEMBL10119364 0.77 ALDH1A1 (0.38) HSD17B10ALDH1A1TSHREPHX2MAPT
SCHEMBL6234511 0.76 ALDH1A1 (0.41) HSD17B10ALDH1A1TSHREPHX2P2RX7
SCHEMBL4086300 0.71 EPHX1 (0.36) ALDH1A1EPHX2KMT2A
SCHEMBL1316622 0.71 ALDH1A1 (0.41) ALDH1A1TSHRMAPTKMT2A
SCHEMBL13387469 0.70 MEN1 (0.49) ALDH1A1EPHX2MAPTKMT2A
SCHEMBL24674956 0.70 OPRM1 (0.41) ALDH1A1TSHR
SCHEMBL1605591 0.69 ALDH1A1 (0.44) HSD17B10ALDH1A1TSHREPHX2P2RX7
SCHEMBL11296269 0.69 THRB (0.41) ALDH1A1TSHRHTTMAPTKMT2A

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-20120082959-A1 Polymerizable Compounds Comprising a Polyalicylic Structure Element VOCO GMBH (DE) 2012-04-05 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-20120082959-A1 Polymerizable Compounds Comprising a Polyalicylic Structure Element PCBP1, PUF60, PARG HSD17B10 4481/4885ALDH1A1 3882/4885TSHR 4695/4885

“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.