SCHEMBL23228792

SCHEMBL23228792

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MDH1 P40925 1/20 0.36
▸ MDH2 P40926 1/20 0.36
▸ IGFBP3 P17936 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35

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
SCHEMBL23228785 0.91 CA12 (0.37) ALDH1A1HPGDNPSR1MAPTKDM4E
SCHEMBL23228801 0.89 RAB9A (0.45) MAPTLMNAMAPK1IGFBP3
SCHEMBL21656908 0.88 ALDH1A1 (0.46) ALDH1A1HPGDNPSR1MAPTKDM4E
SCHEMBL21656973 0.88 HDAC1 (0.42) MAPTKDM4ETAS1R3TAS1R1
SCHEMBL23228800 0.88 SLC6A2 (0.44) ALDH1A1HPGDMAPTKDM4EMAPK1
SCHEMBL23228767 0.88 PARP10 (0.44) MAPTKDM4EMAPK1IGFBP3
SCHEMBL23228809 0.86 SLC6A2 (0.46) ALDH1A1HPGDMAPTKDM4EKMT2A
SCHEMBL21656483 0.85 MAPT (0.44) ALDH1A1HPGDNPSR1MAPTLMNA
SCHEMBL21656881 0.82 LMNA (0.40) ALDH1A1HPGDNPSR1MAPTLMNA
SCHEMBL21628854 0.82 ALDH1A1 (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2021-04-15 — — 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-20210107863-A2 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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