SCHEMBL1218862

SCHEMBL1218862

CC(=CC(C)OCC12CC3CC(CC(C3)C1)C2)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
EPHX2 P34913 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GLA P06280 1/20 0.33
SCN9A Q15858 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
SCHEMBL1219029 0.86 MEN1 (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL5668285 0.86 MEN1 (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL1218778 0.77 GLA (0.36) ALDH1A1SMN1; SMN2NPSR1CA2GLA
SCHEMBL503559 0.77 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL27437204 0.74 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL5669232 0.72 GLA (0.33) SMN1; SMN2KMT2AMEN1GLA
SCHEMBL10051156 0.72 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL465965 0.70 LMNA (0.33) ALDH1A1HSD17B10
SCHEMBL126033 0.70 LMNA (0.33) ALDH1A1HSD17B10
SCHEMBL10075596 0.70 CA12 (0.44) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110040056-A1 PROCESS FOR PRODUCTION OF POLYMER DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2011-02-17 US disclosed
US-7407733-B2 Polymeric compound containing a repeated unit having a 2-oxatricyclo [4.2.1.04,8] nonan-3-one ring and photoresist resin composition DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2008-08-05 US disclosed
US-20060160247-A1 Unsaturated carboxylic acid hemicacetal ester, polymeric compound and photoresist resin composition DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-07-20 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-20060160247-A1 Unsaturated carboxylic acid hemicacetal ester, polymeric compound and photoresist resin composition HCAR1, HCAR2, RARA ALDH1A1 20/4885SMN1; SMN2 3763/4885KMT2A 1912/4885

“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.