SCHEMBL3438877

SCHEMBL3438877

C=C(Nc1cccc(NC(=O)[C@@H]2CCCO2)c1C(C)(C)C)[C@@H]1CCCO1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.54
KDM4E B2RXH2 3/20 0.54
HPGD P15428 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPK10 P53779 1/20 0.51
HTT P42858 3/20 0.50
POLB P06746 1/20 0.50
NPC1 O15118 2/20 0.48
LMNA P02545 2/20 0.48
RAB9A P51151 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
MAPK1 P28482 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
SCHEMBL10073854 0.93 HSD17B10 (0.64) HSD17B10SMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL15120766 0.78 HSD17B10 (0.68) HSD17B10SMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL10084268 0.75 HSD17B10 (0.64) HSD17B10SMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL15119804 0.72 CETP (0.56) HSD17B10SMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL17896349 0.72 HPGD (0.60) HSD17B10SMN1; SMN2HPGDALDH1A1POLB
SCHEMBL4603679 0.70 SMN1; SMN2 (0.74) HSD17B10SMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL3438874 0.70 GAA (0.41) SMN1; SMN2KDM4EHPGDHTTLMNA
SCHEMBL31058408 0.68 MAPK1 (0.63) HSD17B10SMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL15587329 0.67 HPGD (0.64) HSD17B10SMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL22332735 0.67 TDP1 (0.49) HSD17B10SMN1; SMN2KDM4EHPGDALDH1A1

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-20120101271-A1 DIAMINE SYNTHESIS VIA CATALYTIC C-H AMINATION OF AZIDES NATIONAL SCIENCE FOUNDATION 2012-04-26 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-20120101271-A1 DIAMINE SYNTHESIS VIA CATALYTIC C-H AMINATION OF AZIDES DOHH, AOC1, ESD HSD17B10 4123/4885SMN1; SMN2 1784/4885KDM4E 694/4885

“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.