SCHEMBL21657024

SCHEMBL21657024

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ HSD17B2 P37059 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ VDR P11473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ICAM1 P05362 1/20 0.35
▸ SELE P16581 1/20 0.35
▸ LPAR1 Q92633 1/20 0.35
▸ LPAR5 Q9H1C0 1/20 0.35
▸ OPRM1 P35372 3/20 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
SCHEMBL21656908 0.91 ALDH1A1 (0.46) ALDH1A1HPGDNPSR1MAPTKDM4E
SCHEMBL23228785 0.89 CA12 (0.37) ALDH1A1HPGDNPSR1CA12CA1
SCHEMBL21656871 0.89 RAB9A (0.44) MAPK1LPAR1LPAR5
SCHEMBL21657031 0.88 PARP10 (0.46) LPAR1LPAR5OPRM1OPRD1OPRK1
SCHEMBL21656937 0.86 SLC6A2 (0.45) ALDH1A1HPGDLPAR1LPAR5
SCHEMBL21628759 0.84 NPC1 (0.47) ALDH1A1HPGDNPSR1CA12CA1
SCHEMBL19357358 0.84 ALDH1A1 (0.50) ALDH1A1HPGDNPSR1CA12CA1
SCHEMBL21656741 0.81 MAPT (0.49) CA12CA1CA2CA7CA9
SCHEMBL21628422 0.79 IGFBP3 (0.42) CA12CA1CA2CA7CA9
SCHEMBL21628636 0.79 MAPT (0.42) CA12CA1CA2CA7CA9

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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