SCHEMBL31428482

SCHEMBL31428482

CC(C)(C)OC(=O)c1ccccc1-c1cc(C=O)nc2ccc(C(=O)N3CCOCC3)cc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
PDE4B Q07343 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
TSHR P16473 2/20 0.39
CNR1 P21554 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL24975789 1.00 HPGD (0.41) HPGDCYP1A2CYP3A4CYP2C9PDE4B
SCHEMBL24975800 0.89 KDM4E (0.46) HPGDCYP1A2CYP3A4CYP2C9PDE4B
SCHEMBL31428793 0.89 KDM4E (0.46) HPGDCYP1A2CYP3A4CYP2C9PDE4B
SCHEMBL31428507 0.87 GRM2 (0.47) HPGDHSP90AA1HSP90AB1ALDH1A1NPC1
SCHEMBL24975793 0.87 GRM2 (0.47) HPGDHSP90AA1HSP90AB1ALDH1A1NPC1
SCHEMBL24975792 0.85 ERN1 (0.47) HPGDTSHRRAB9AKMT2A
SCHEMBL31428549 0.85 ERN1 (0.47) HPGDTSHRRAB9AKMT2A
SCHEMBL31428944 0.85 PDCD1 (0.38) HPGDCYP1A2CYP3A4CYP2C9PDE4B
SCHEMBL31428671 0.82 HPGD (0.50) HPGDCYP1A2CYP3A4CYP2C9TSHR
SCHEMBL31428711 0.81 GRM2 (0.51) HPGDTSHRCNR1ALDH1A1LMNA

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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2025-03-20 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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND BRAF, RAF1, NRAS HPGD 4233/4885CYP1A2 3982/4885CYP3A4 4009/4885

“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.