SCHEMBL9946153

SCHEMBL9946153

CC1(C)OC(c2cccc(C(=O)N3CCCC3)c2)OC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.55
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
KDM1A O60341 1/20 0.49
L3MBTL3 Q96JM7 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 3/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPK1 P28482 1/20 0.45
GRIA3 P42263 1/20 0.45
GRIA4 P48058 1/20 0.45
HSD17B10 Q99714 1/20 0.44
MBTD1 Q05BQ5 1/20 0.44

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
SCHEMBL9946167 0.83 HPGD (0.59) HPGDKMT2AMEN1GAAL3MBTL3
SCHEMBL9946139 0.79 ALDH1A1 (0.44) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL9946130 0.79 KMO (0.49) HPGDKMT2AMEN1GAAL3MBTL1
SCHEMBL10720984 0.77 HPGD (0.76) HPGDKMT2AMEN1GAAHTT
SCHEMBL7127339 0.75 HPGD (0.77) HPGDKMT2AMEN1GAAHTT
SCHEMBL23992992 0.74 KDM1A (0.57) HPGDKMT2AMEN1GAAHTT
SCHEMBL17003698 0.74 MAOA (0.67) HPGDKDM1AL3MBTL3L3MBTL1LMNA
SCHEMBL16482506 0.74 MAOA (0.67) HPGDKDM1AL3MBTL3L3MBTL1LMNA
SCHEMBL16687456 0.74 HPGD (0.55) HPGDKMT2AMEN1GAAHTT
Hydrochloric Acid SCHEMBL17003184 0.73 MAOA (0.65) HPGDKDM1AL3MBTL3L3MBTL1LMNA

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 HPGD 2142/4885KMT2A 4328/4885MEN1 4590/4885

“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.