SCHEMBL12469448

SCHEMBL12469448

COc1ccc(-c2cccc(C(=O)N(C)O)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.70
LMNA P02545 2/20 0.70
TSHR P16473 1/20 0.70
HSD17B2 P37059 2/20 0.58
ERCC5 P28715 1/20 0.57
FEN1 P39748 1/20 0.57
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPK1 P28482 1/20 0.56
KDM4E B2RXH2 1/20 0.56
HDAC4 P56524 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
CYP3A4 P08684 1/20 0.52

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
SCHEMBL20057645 0.89 HPGD (0.72) HPGDLMNATSHRHSD17B2ERCC5
SCHEMBL27616105 0.82 HPGD (0.66) HPGDLMNATSHRERCC5FEN1
SCHEMBL2199255 0.82 CES2 (0.65) TSHRHSD17B2SMN1; SMN2KDM4EMEN1
SCHEMBL12688050 0.82 HSD17B2 (0.87) HPGDLMNATSHRHSD17B2ERCC5
SCHEMBL8479394 0.81 HPGD (0.64) HPGDLMNATSHRERCC5FEN1
SCHEMBL3639698 0.81 SMN1; SMN2 (0.74) HPGDLMNATSHRERCC5FEN1
SCHEMBL23289051 0.80 HPGD (0.62) HPGDLMNATSHRERCC5FEN1
SCHEMBL3720494 0.80 PARP1 (0.67) HPGDLMNATSHRERCC5FEN1
SCHEMBL30913837 0.80 HPGD (0.62) HPGDLMNATSHRERCC5FEN1
SCHEMBL7825137 0.80 PLAU (0.66) HPGDLMNATSHRERCC5FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765667-B2 HCV protease inhibitors EISSENSTAT MICHAEL (US) 2014-07-01 US disclosed
US-20110182854-A1 HCV PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2011-07-28 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-20110182854-A1 HCV PROTEASE INHIBITORS SERPINB1, CTSC, HPN HPGD 1339/4885LMNA 1932/4885TSHR 4544/4885

“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.