SCHEMBL6035013

SCHEMBL6035013

COc1ccc(/C=C/C(=O)O)c(OCc2ccccc2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.80
PTGER4 P35408 5/20 0.64
PTGER2 P43116 5/20 0.64
PTGER3 P43115 5/20 0.64
PTGER1 P34995 3/20 0.64
MAPT P10636 3/20 0.57
ALDH1A1 P00352 3/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
GAA P10253 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
KDM4E B2RXH2 3/20 0.54
POLB P06746 1/20 0.54
HTT P42858 1/20 0.54
RECQL P46063 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
LMNA P02545 1/20 0.53
PTGDR Q13258 1/20 0.53

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
SCHEMBL6035015 1.00 HDAC8 (0.80) HDAC8PTGER4PTGER2PTGER3PTGER1
SCHEMBL7191225 0.91 PTGER3 (0.68) HDAC8PTGER4PTGER2PTGER3PTGER1
SCHEMBL7909151 0.91 PTGER3 (0.68) HDAC8PTGER4PTGER2PTGER3PTGER1
SCHEMBL6036139 0.90 HDAC8 (0.65) HDAC8PTGER4PTGER2PTGER3PTGER1
SCHEMBL18538447 0.90 HDAC8 (0.65) HDAC8PTGER4PTGER2PTGER3PTGER1
SCHEMBL6036142 0.90 HDAC8 (0.65) HDAC8PTGER4PTGER2PTGER3PTGER1
SCHEMBL5132842 0.89 MAPT (0.75) HDAC8MAPTALDH1A1NPC1RAB9A
SCHEMBL3218760 0.89 HDAC8 (0.65) HDAC8PTGER4PTGER2PTGER3PTGER1
SCHEMBL8682788 0.89 HDAC8 (0.75) HDAC8MAPTALDH1A1NPC1RAB9A
SCHEMBL3218772 0.89 HDAC8 (0.65) HDAC8PTGER4PTGER2PTGER3PTGER1

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-20190322617-A1 HDAC8 INHIBITORS FOR TREATING CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-10-24 US disclosed
US-10308596-B2 HDAC8 inhibitors for treating cancer CITY OF HOPE (US) 2019-06-04 US disclosed
US-20170050922-A2 HDAC8 INHIBITORS FOR TREATING CANCER CITY OF HOPE 2017-02-23 US disclosed
US-20170050922-A2 HDAC8 INHIBITORS FOR TREATING CANCER CITY OF HOPE 2017-02-23 US disclosed
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 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 (4 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-20170050922-A2 HDAC8 INHIBITORS FOR TREATING CANCER HDAC8, HDAC1, HDAC7 HDAC8 1/4885PTGER4 4784/4885PTGER2 4646/4885
US-10308596-B2 HDAC8 inhibitors for treating cancer HDAC8, HDAC1, HDAC7 HDAC8 1/4885PTGER4 4784/4885PTGER2 4646/4885
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 HDAC8 876/4885PTGER4 2147/4885PTGER2 4649/4885
US-20190322617-A1 HDAC8 INHIBITORS FOR TREATING CANCER HDAC8, HDAC1, HDAC7 HDAC8 1/4885PTGER4 4784/4885PTGER2 4646/4885

“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.