SCHEMBL21628494

SCHEMBL21628494

CCOC(=O)c1cnc(Oc2ccc(C3[C@H]4C[C@@H]5C[C@@H](C[C@H]3C5)C4)cc2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.37
CYP1A2 P05177 3/20 0.36
POLB P06746 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
P2RX3 P56373 1/20 0.36
PDE4B Q07343 1/20 0.36
F10 P00742 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
DPP4 P27487 1/20 0.35
P2RY12 Q9H244 1/20 0.35
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL21628493 1.00 MAOB (0.37) MAOBCYP1A2POLBCYP2C9CYP2C19
SCHEMBL21628918 0.89 HIF1A (0.36) L3MBTL1LMNAALDH1A1PDE4B
SCHEMBL21628917 0.89 HIF1A (0.36) L3MBTL1LMNAALDH1A1PDE4B
SCHEMBL21656884 0.85 SLC6A3 (0.41) MAOBCYP1A2POLBCYP2C9CYP2C19
SCHEMBL21628445 0.85 PTGER4 (0.36)
SCHEMBL21628446 0.85 PTGER4 (0.36)
SCHEMBL21656920 0.84 SLC6A3 (0.37) MAOBCYP1A2POLBCYP2C9CYP2C19
SCHEMBL21628598 0.84 BTK (0.37) ALDH1A1
SCHEMBL21628601 0.84 BTK (0.37) ALDH1A1
SCHEMBL21628869 0.84 MAOB (0.40) MAOBCYP1A2POLBCYP2C9CYP2C19

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-20230406814-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-12-21 US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 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 (3 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-11591289-B2 Aromatic compounds AHR, TYR, MUSK MAOB 2399/4885CYP1A2 425/4885POLB 2979/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK MAOB 2110/4885CYP1A2 458/4885POLB 3699/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK MAOB 2110/4885CYP1A2 458/4885POLB 3699/4885

“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.