SCHEMBL22479058

SCHEMBL22479058

CCn1c(C(C)C)cc2cc(C(C)C)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 1/20 0.37
▸ GRIK2 Q13002 1/20 0.37
▸ RORA P35398 1/20 0.37
▸ RORC P51449 1/20 0.37
▸ RORB Q92753 1/20 0.37
▸ MIF P14174 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ AKR1C3 P42330 2/20 0.34
▸ AKR1C2 P52895 2/20 0.34
▸ NLRP3 Q96P20 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ TRPC5 Q9UL62 1/20 0.32
▸ CASR P41180 3/20 0.32
▸ BRPF1 P55201 1/20 0.32
▸ PARP15 Q460N3 1/20 0.32
▸ PARP10 Q53GL7 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.32
▸ PARP2 Q9UGN5 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL27412938 0.87 RORA (0.41) RORARORCRORBMIFAKR1C3
SCHEMBL24513016 0.83 MEN1 (0.43) GRIK1GRIK2RORARORCRORB
SCHEMBL22515646 0.81 RORA (0.36) GRIK1GRIK2RORARORCRORB
SCHEMBL9613205 0.80 GPR35 (0.57) KDM4EALDH1A1HPGDHSD17B10GPR35
SCHEMBL19121275 0.79 CA12 (0.43) GRIK1GRIK2LMNANPSR1KDM4E
SCHEMBL21730433 0.77 LMNA (0.35) RORARORCRORBLMNABRPF1
SCHEMBL13881352 0.76 GPR35 (0.43) RORARORCRORBMAOBAKR1C3
SCHEMBL13084772 0.74 RORC (0.54) RORARORCRORBLMNANPSR1
SCHEMBL19121550 0.73 RPS6KA5 (0.39) —
SCHEMBL21907095 0.71 ACSS2 (0.41) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159573-A1 SMALL MOLECULE STAT PROTEIN DEGRADERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 — — US disclosed
US-20230133504-A1 METHOD OF TREATING GRAFT-VERSUS-HOST DISEASE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-05-04 — — US disclosed
WO-2020198435-A1 SMALL MOLECULE DEGRADERS OF STAT3 THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-10-01 — — WO 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-20230133504-A1 METHOD OF TREATING GRAFT-VERSUS-HOST DISEASE HLA-DRB1, CD74, HLA-C GRIK1 2246/4885GRIK2 2078/4885RORA 1104/4885
US-20230159573-A1 SMALL MOLECULE STAT PROTEIN DEGRADERS STAT1, STAT3, STAT5A GRIK1 4531/4885GRIK2 4682/4885RORA 750/4885

“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.

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