SCHEMBL23228785

SCHEMBL23228785

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ HSD17B2 P37059 1/20 0.37
▸ MAPT P10636 4/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ICAM1 P05362 1/20 0.36
▸ SELE P16581 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ IGFBP3 P17936 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HDAC3 O15379 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
SCHEMBL23228792 0.91 ALDH1A1 (0.44) MAPTKDM4EMAPK1LMNAALDH1A1
SCHEMBL21657024 0.89 ALDH1A1 (0.36) CA12CA1CA2CA7CA9
SCHEMBL23228801 0.88 RAB9A (0.45) MAPTMAPK1LMNAIGFBP3
SCHEMBL23228767 0.87 PARP10 (0.44) MAPTKDM4EMAPK1IGFBP3
SCHEMBL21656973 0.85 HDAC1 (0.42) CA1CA2MAPTKDM4EHDAC1
SCHEMBL23228809 0.85 SLC6A2 (0.46) MAPTKDM4EALDH1A1IGFBP3HPGD
SCHEMBL23228800 0.85 SLC6A2 (0.44) MAPTKDM4EMAPK1TSHRALDH1A1
SCHEMBL21656921 0.83 MAOB (0.41) MAPTLMNATSHRALDH1A1
SCHEMBL21628759 0.82 NPC1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL21656741 0.82 MAPT (0.49) 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 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 CA12 4724/4885CA1 4881/4885CA2 4416/4885

“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.

Send feedback