SCHEMBL18593244

SCHEMBL18593244

CCN1CCOc2ccc(C(C)=O)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 2/20 0.55
KDM4E B2RXH2 2/20 0.50
ATM Q13315 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.42
APOBEC3A P31941 1/20 0.42
RAB9A P51151 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
NOTUM Q6P988 1/20 0.42
HPGD P15428 1/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
AR P10275 1/20 0.41
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL18593241 0.89 KDM4E (0.50) PTGER3KDM4EATMSMN1; SMN2NPC1
SCHEMBL11688495 0.82 CYP1A2 (0.57) PTGER3KDM4ESMN1; SMN2POLBNPC1
SCHEMBL29977498 0.82 KDM4E (0.55) PTGER3KDM4EATMPIK3CDPIK3CB
SCHEMBL3765131 0.79 PTGER3 (0.46) PTGER3KDM4ESMN1; SMN2NOTUMHPGD
Bromide SCHEMBL15020268 0.78 PTGER3 (0.45) PTGER3KDM4ESMN1; SMN2NOTUMHPGD
SCHEMBL12347477 0.77 MAPT (0.47) PTGER3PIK3CBPIK3CGPOLBHPGD
SCHEMBL4278028 0.77 PTGER3 (0.45) PTGER3KDM4EATMSMN1; SMN2POLB
SCHEMBL27308881 0.77 PTGER3 (0.44) PTGER3KDM4ESMN1; SMN2HPGDNR3C1
SCHEMBL15650565 0.76 PTGER3 (0.43) PTGER3KDM4ESMN1; SMN2NR3C1PGR
SCHEMBL31167486 0.76 PTGER3 (0.43) PTGER3PIK3CDPIK3CBPIK3CGNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10029995-B2 [6,6] fused bicyclic HDAC8 inhibitors FORMA THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
US-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2017-03-09 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 (2 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-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 PTGER3 2832/4885KDM4E 192/4885ATM 2493/4885
US-10029995-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 PTGER3 2832/4885KDM4E 192/4885ATM 2493/4885

“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.