SCHEMBL31089640

SCHEMBL31089640

CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2)C1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.62
▸ ALDH1A1 P00352 10/20 0.56
▸ HPGD P15428 8/20 0.56
▸ KDM4E B2RXH2 6/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ HTT P42858 3/20 0.56
▸ MAPT P10636 2/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ RECQL P46063 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ MEN1 O00255 1/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL21648250 1.00 RAB9A (0.62) RAB9AALDH1A1HPGDKDM4EKMT2A
SCHEMBL21629625 1.00 RAB9A (0.62) RAB9AALDH1A1HPGDKDM4EKMT2A
SCHEMBL21629626 1.00 RAB9A (0.62) RAB9AALDH1A1HPGDKDM4EKMT2A
SCHEMBL30056573 0.95 RAB9A (0.57) RAB9AALDH1A1HPGDKDM4EKMT2A
SCHEMBL20848110 0.91 CYP3A4 (0.56) RAB9AALDH1A1HPGDKDM4EKMT2A
SCHEMBL30056612 0.91 CYP3A4 (0.56) RAB9AALDH1A1HPGDKDM4EKMT2A
SCHEMBL21629650 0.91 RAB9A (0.65) RAB9AALDH1A1HPGDKDM4EKMT2A
SCHEMBL21629635 0.91 RAB9A (0.65) RAB9AALDH1A1HPGDKDM4EKMT2A
SCHEMBL21629559 0.91 RAB9A (0.65) RAB9AALDH1A1HPGDKDM4EKMT2A
SCHEMBL20848109 0.91 MAPT (0.57) RAB9AALDH1A1HPGDKDM4EKMT2A

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-20240252454-A1 COMPOSITION COMPRISING AN INHIBITOR OF MITOCHONDRIAL TRANSCRIPTION LEAD DISCOVERY CENTER GMBH (DE) 2024-08-01 — — US claimed
US-20240252454-A1 COMPOSITION COMPRISING AN INHIBITOR OF MITOCHONDRIAL TRANSCRIPTION LEAD DISCOVERY CENTER GMBH (DE) 2024-08-01 — — 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-20240252454-A1 COMPOSITION COMPRISING AN INHIBITOR OF MITOCHONDRIAL TRANSCRIPTION TFAM, POLRMT, TUFM RAB9A 4733/4885ALDH1A1 3415/4885HPGD 1853/4885

“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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