SCHEMBL18538447

SCHEMBL18538447

COc1cc(OCc2ccccc2)ccc1/C=C/C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 2/20 0.65
▸ MAPT P10636 3/20 0.61
▸ APP P05067 1/20 0.61
▸ PTGER3 P43115 4/20 0.60
▸ PTGER4 P35408 4/20 0.60
▸ PTGER2 P43116 4/20 0.60
▸ PTGER1 P34995 1/20 0.60
▸ PTGDR Q13258 1/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ PKM P14618 1/20 0.59
▸ NPC1 O15118 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ PTPN1 P18031 1/20 0.57
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ PLA2G2D Q9UNK4 1/20 0.54
▸ GAA P10253 1/20 0.53
▸ AKR1B10 O60218 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
SCHEMBL7909151 0.91 PTGER3 (0.68) HDAC8PTGER3PTGER4PTGER2PTGER1
SCHEMBL7191225 0.91 PTGER3 (0.68) HDAC8PTGER3PTGER4PTGER2PTGER1
SCHEMBL18559977 0.90 HDAC8 (0.69) HDAC8MAPTAPPALDH1A1KDM4E
SCHEMBL6035015 0.90 HDAC8 (0.80) HDAC8MAPTPTGER3PTGER4PTGER2
SCHEMBL6035013 0.90 HDAC8 (0.80) HDAC8MAPTPTGER3PTGER4PTGER2
SCHEMBL18538449 0.88 HDAC8 (0.71) HDAC8MAPTAPPALDH1A1NPC1
SCHEMBL1550023 0.87 HDAC8 (0.65) HDAC8MAPTAPPALDH1A1KDM4E
SCHEMBL1550021 0.87 HDAC8 (0.65) HDAC8MAPTAPPALDH1A1KDM4E
SCHEMBL2433877 0.86 PTGER3 (0.56) HDAC8MAPTAPPPTGER3PTGER4
SCHEMBL2433874 0.86 PTGER3 (0.56) HDAC8MAPTAPPPTGER3PTGER4

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 4 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

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-20170050922-A2 HDAC8 INHIBITORS FOR TREATING CANCER HDAC8, HDAC1, HDAC7 HDAC8 1/4885MAPT 3015/4885APP 4751/4885
US-10308596-B2 HDAC8 inhibitors for treating cancer HDAC8, HDAC1, HDAC7 HDAC8 1/4885MAPT 3015/4885APP 4751/4885
US-20190322617-A1 HDAC8 INHIBITORS FOR TREATING CANCER HDAC8, HDAC1, HDAC7 HDAC8 1/4885MAPT 3015/4885APP 4751/4885

“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.

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