SCHEMBL21656908

SCHEMBL21656908

C=CCC(C)(CC)c1ccc(Oc2ccc(C(=O)OC)cc2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ MDH1 P40925 1/20 0.37
▸ MDH2 P40926 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ LPAR1 Q92633 1/20 0.36
▸ LPAR5 Q9H1C0 1/20 0.36
▸ KMT2A Q03164 2/20 0.36

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
SCHEMBL21657024 0.91 ALDH1A1 (0.36) ALDH1A1HPGDNPSR1MAPTKDM4E
SCHEMBL21656871 0.89 RAB9A (0.44) LMNAMAPK1LPAR1LPAR5
SCHEMBL23228792 0.88 ALDH1A1 (0.44) ALDH1A1HPGDNPSR1MAPTKDM4E
SCHEMBL21657031 0.88 PARP10 (0.46) LPAR1LPAR5
SCHEMBL21656937 0.87 SLC6A2 (0.45) ALDH1A1HPGDLPAR1LPAR5KMT2A
SCHEMBL23228713 0.85 LMNA (0.43) ALDH1A1HPGDNPSR1MAPTLMNA
SCHEMBL21628854 0.83 ALDH1A1 (0.52) ALDH1A1HPGDNPSR1MAPTKDM4E
SCHEMBL21628412 0.81 ALDH1A1 (0.66) ALDH1A1HPGDNPSR1MAPTKDM4E
SCHEMBL20470550 0.80 RAB9A (0.42) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL23228785 0.79 CA12 (0.37) ALDH1A1HPGDNPSR1MAPTKDM4E

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-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 (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-11591289-B2 Aromatic compounds AHR, TYR, MUSK ALDH1A1 900/4885HPGD 2313/4885NPSR1 4780/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK ALDH1A1 717/4885HPGD 2579/4885NPSR1 4806/4885

“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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