SCHEMBL25830778

SCHEMBL25830778

CCC(C)Oc1ccnc2ccc(C(=O)O)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
IDO1 P14902 3/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.39
HIPK2 Q9H2X6 1/20 0.39
HCAR3 P49019 3/20 0.39
TSHR P16473 1/20 0.39
ACE2 Q9BYF1 3/20 0.39
MAPK8 P45983 1/20 0.38
IP6K1 Q92551 1/20 0.38
IP6K3 Q96PC2 1/20 0.38
IP6K2 Q9UHH9 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
CYP3A4 P08684 1/20 0.38
RET P07949 1/20 0.37

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
SCHEMBL25846276 0.90 SLC2A1 (0.43) IDO1TSHRIRAK4CYP3A4RET
Hydrochloric Acid SCHEMBL18109880 0.79 CA12 (0.53) KDM4CRAB9ALMNATSHR
SCHEMBL25846078 0.77 ROCK2 (0.50) LMNACYP3A4
SCHEMBL25830987 0.77 GAK (0.46) IDO1RET
SCHEMBL22129173 0.76 IDO1 (0.40) KDM5AKDM4CKDM5BIDO1NPC1
SCHEMBL8072162 0.76 CA12 (0.51) RAB9AKMT2ALMNATSHR
SCHEMBL25830886 0.75 GAK (0.46) IDO1
SCHEMBL25827570 0.75 LOXL2 (0.42)
SCHEMBL23809376 0.74 ACE2 (0.55) KDM5AKDM4CKDM5BMEN1NPC1
SCHEMBL20820465 0.74 TAS1R3 (0.47) MEN1RAB9AKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 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 (1 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA KDM5A 4799/4885KDM4C 4573/4885KDM5B 4815/4885

“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.