SCHEMBL18593241

SCHEMBL18593241

CCN1CCOc2cc(C(C)=O)ccc21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
PTGER3 P43115 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
ATM Q13315 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 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
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 2/20 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
SCHEMBL4278028 0.89 PTGER3 (0.45) KDM4EPTGER3NPC1RAB9AAPOBEC3A
SCHEMBL18593244 0.89 PTGER3 (0.55) KDM4EPTGER3NPC1RAB9AAPOBEC3A
SCHEMBL29976743 0.81 MEN1 (0.56) KDM4EPTGER3KMT2AMEN1HPGD
SCHEMBL13596347 0.81 MEN1 (0.56) KDM4EPTGER3KMT2AMEN1HPGD
SCHEMBL20116560 0.81 NOS3 (0.42) PTGER3NPC1RAB9AAPOBEC3AAPOBEC3G
SCHEMBL20660979 0.81 NOS3 (0.42) PTGER3NPC1RAB9AAPOBEC3AAPOBEC3G
SCHEMBL20660975 0.80 PTGER3 (0.41) PTGER3NPC1RAB9AAPOBEC3AAPOBEC3G
SCHEMBL13180252 0.77 NR3C1 (0.42) PTGER3KMT2ANR3C1PGRAR
SCHEMBL24826392 0.76 NR3C1 (0.44) PTGER3HPGDNR3C1PGRAR
SCHEMBL5516550 0.76 NR3C1 (0.41) KDM4EPTGER3KMT2AMEN1NR3C1

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 KDM4E 192/4885PTGER3 2832/4885NPC1 2435/4885
US-10029995-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 KDM4E 192/4885PTGER3 2832/4885NPC1 2435/4885

“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.