SCHEMBL9959324

SCHEMBL9959324

OCCCc1cc(OCc2ccccc2)no1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.51
EPHX2 P34913 1/20 0.51
SMPD1 P17405 1/20 0.46
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
RRM1 P23921 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BRD4 O60885 1/20 0.38

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
SCHEMBL13315485 0.87 SMPD1 (0.44) SMPD1NPC1RAB9ABRD4
SCHEMBL322866 0.84 SMPD1 (0.53) SMPD1CYP4F2CYP4A11NPC1RAB9A
SCHEMBL25025302 0.78 SMPD1 (0.47) SMPD1NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL15684128 0.78 SMPD1 (0.47) SMPD1NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL17409116 0.78 SMPD1 (0.47) SMPD1NPC1RAB9ABRD4
SCHEMBL13520120 0.78 NOTUM (0.51) SMPD1NPC1RAB9ABRD4
SCHEMBL12268217 0.78 SMPD1 (0.47) SMPD1NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL17726200 0.78 SMPD1 (0.53) SMPD1
SCHEMBL20860385 0.78 SMPD1 (0.44) SMPD1NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL838157 0.76 SMN1; SMN2 (0.51) LTA4HEPHX2NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9567355-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2017-02-14 US disclosed
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. 2016-12-08 US disclosed
US-9453007-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2016-09-27 US disclosed
US-20160002213-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. 2016-01-07 US disclosed
US-9173887-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2015-11-03 US disclosed
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. (US) 2014-02-06 US disclosed
EP-2655362-A1 HEPATITIS C INHIBITORS AND USES THEREOF Abbvie Inc. (US) 2013-10-30 EP disclosed
WO-2012087833-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-06-28 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-20160002213-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 LTA4H 2883/4885EPHX2 1157/4885SMPD1 2822/4885
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 LTA4H 2883/4885EPHX2 1157/4885SMPD1 2822/4885
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 LTA4H 2883/4885EPHX2 1157/4885SMPD1 2822/4885

“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.