SCHEMBL26840474

SCHEMBL26840474

CC[C@]12CO[C@@H](C1OP1OC(c3ccccc3)C3CCCN31)[C@H](n1cnc3c(=O)[nH]c(NC(=O)C(C)C)nc31)O2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TAAR1 Q96RJ0 2/20 0.32
▸ ADORA3 P0DMS8 1/20 0.31
▸ PDE5A O76074 2/20 0.30
▸ PDE1A P54750 2/20 0.30
▸ PDE1B Q01064 2/20 0.30
▸ PDE1C Q14123 2/20 0.30
▸ NOS1 P29475 1/20 0.30

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
SCHEMBL19362146 0.95 KDM4E (0.40) KDM4ETAS1R3TAS1R1ALDH1A1MEN1
SCHEMBL22408780 0.88 TYMP (0.36) KDM4E
SCHEMBL22408779 0.88 TYMP (0.36) KDM4E
SCHEMBL19627587 0.83 PDE5A (0.31) PDE5APDE1APDE1BPDE1C
SCHEMBL19627579 0.83 PDE5A (0.31) PDE5APDE1APDE1BPDE1C
SCHEMBL19627588 0.83 PDE5A (0.31) PDE5APDE1APDE1BPDE1C
SCHEMBL19627585 0.83 PDE5A (0.31) PDE5APDE1APDE1BPDE1C
SCHEMBL19604056 0.82 KDM4E (0.44) KDM4ETAS1R3TAS1R1ALDH1A1MEN1
SCHEMBL17775275 0.81 P2RY12 (0.39) ADORA3
SCHEMBL19627580 0.81 P2RY12 (0.39) ADORA3

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-11814407-B2 Multiple coupling and oxidation method ROCHE INNOVATION CENTER COPENHAGEN A/S (CH) 2023-11-14 — — 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-11814407-B2 Multiple coupling and oxidation method RNGTT, PCNA, TYMP KDM4E 2834/4885TAS1R3 4711/4885TAS1R1 4484/4885

“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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