SCHEMBL18538459

SCHEMBL18538459

COC(=O)/C=C/c1ccc(-c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 9/20 0.61
HDAC3 O15379 2/20 0.61
HDAC1 Q13547 2/20 0.61
NCOR2 Q9Y618 1/20 0.61
CCNC P24863 1/20 0.52
CDK8 P49336 1/20 0.52
IP6K1 Q92551 1/20 0.49
IP6K3 Q96PC2 1/20 0.49
IP6K2 Q9UHH9 1/20 0.49
EGFR P00533 1/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL18538463 0.85 ALDH1A1 (0.54) HDAC8HDAC3HDAC1NCOR2CCNC
SCHEMBL14340877 0.85 IP6K1 (0.49) HDAC8HDAC3HDAC1NCOR2CCNC
SCHEMBL29246429 0.84 BACE1 (0.55) HDAC8HDAC3HDAC1NCOR2CCNC
SCHEMBL17802340 0.83 PTGER1 (0.55) HDAC8HDAC3HDAC1NCOR2CCNC
SCHEMBL16516589 0.81 HDAC8 (0.74) HDAC8HDAC3HDAC1NCOR2
SCHEMBL4833218 0.78 CA12 (0.66) HDAC8HDAC3HDAC1IP6K1IP6K3
SCHEMBL4833224 0.78 CA12 (0.66) HDAC8HDAC3HDAC1IP6K1IP6K3
SCHEMBL3295959 0.77 HDAC8 (0.61) HDAC8HDAC3HDAC1NCOR2CCNC
SCHEMBL3295963 0.77 HDAC8 (0.61) HDAC8HDAC3HDAC1NCOR2CCNC
SCHEMBL3635807 0.77 ALPL (0.47) HDAC8HDAC3HDAC1NCOR2IP6K1

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 1/4885HDAC3 9/4885HDAC1 2/4885
US-10308596-B2 HDAC8 inhibitors for treating cancer HDAC8, HDAC1, HDAC7 HDAC8 1/4885HDAC3 9/4885HDAC1 2/4885
US-20190322617-A1 HDAC8 INHIBITORS FOR TREATING CANCER HDAC8, HDAC1, HDAC7 HDAC8 1/4885HDAC3 9/4885HDAC1 2/4885

“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.