SCHEMBL9946167

SCHEMBL9946167

CC1(C)OC(c2ccc(C(=O)N3CCCCC3)cc2)OC1(C)C

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 11/20 0.59
ALDH1A1 P00352 6/20 0.59
MAOA P21397 1/20 0.55
GAA P10253 1/20 0.48
MBTD1 Q05BQ5 3/20 0.48
L3MBTL3 Q96JM7 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
MAPK1 P28482 1/20 0.46
EPHX2 P34913 1/20 0.46

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
SCHEMBL9946154 0.87 PHGDH (0.59) HPGDALDH1A1L3MBTL3L3MBTL1KMT2A
SCHEMBL9946153 0.83 HPGD (0.55) HPGDALDH1A1GAAMBTD1L3MBTL3
SCHEMBL1238180 0.82 ALDH1A1 (0.40) HPGDALDH1A1GAAL3MBTL3L3MBTL1
SCHEMBL1235917 0.82 ALDH1A1 (0.40) HPGDALDH1A1GAAL3MBTL3L3MBTL1
SCHEMBL517510 0.79 HPGD (0.59) HPGDALDH1A1MAOAGAAMBTD1
SCHEMBL517372 0.78 HPGD (0.56) HPGDALDH1A1MAOAGAAMBTD1
SCHEMBL27479149 0.77 HPGD (1.00) HPGDALDH1A1MAOAMBTD1L3MBTL3
SCHEMBL7132525 0.77 HPGD (1.00) HPGDALDH1A1MAOAMBTD1L3MBTL3
SCHEMBL10721733 0.75 HPGD (0.95) HPGDALDH1A1MBTD1L3MBTL3L3MBTL1
SCHEMBL9946140 0.74 SMN1; SMN2 (0.41) HPGDALDH1A1L3MBTL1KMT2AMEN1

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 2142/4885ALDH1A1 4010/4885MAOA 809/4885

“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.