SCHEMBL10192008

SCHEMBL10192008

C=C(C)OC(=O)Nc1cccc(C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.62
ALDH1A1 P00352 4/20 0.56
MAPK1 P28482 2/20 0.56
FAAH O00519 1/20 0.56
CYP3A4 P08684 1/20 0.56
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
RXFP1 Q9HBX9 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
NFKB1 P19838 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.49
KCNK3 O14649 1/20 0.49
KCNH2 Q12809 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49

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
SCHEMBL11411034 0.85 HSD17B10 (0.62) HSD17B10ALDH1A1MAPK1FAAHCYP3A4
SCHEMBL15000050 0.83 MEN1 (0.54) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL14625837 0.83 GAA (0.58) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL13489764 0.83 ALDH1A1 (0.63) HSD17B10ALDH1A1MAPK1SMN1; SMN2RAB9A
SCHEMBL2095611 0.81 HSD17B10 (0.62) HSD17B10ALDH1A1MAPK1FAAHCYP3A4
SCHEMBL2095614 0.81 ALDH1A1 (0.79) HSD17B10ALDH1A1MAPK1FAAHCYP3A4
SCHEMBL12606901 0.81 NAPRT (0.55) HSD17B10ALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL30589563 0.81 ALDH1A1 (0.79) HSD17B10ALDH1A1MAPK1FAAHCYP3A4
SCHEMBL1521780 0.80 HDAC3 (0.52) MAPK1RXFP1SMN1; SMN2NPC1TP53
SCHEMBL4804898 0.80 ALDH1A1 (0.67) HSD17B10ALDH1A1MAPK1FAAHCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO 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 (3 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS HSD17B10 886/4885ALDH1A1 591/4885MAPK1 4384/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS HSD17B10 1276/4885ALDH1A1 1497/4885MAPK1 4248/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS HSD17B10 1276/4885ALDH1A1 1497/4885MAPK1 4248/4885

“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.