SCHEMBL23228824

SCHEMBL23228824

C=CCC(CC)(CC)c1ccc(Oc2ncc(C(=O)NC)cc2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PTGER4 P35408 3/20 0.38
▸ PLK1 P53350 2/20 0.38
▸ HPGDS O60760 1/20 0.36
▸ RAF1 P04049 1/20 0.36
▸ MMP13 P45452 2/20 0.35
▸ PTK2 Q05397 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ S1PR2 O95136 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SCN9A Q15858 1/20 0.33
▸ ICAM1 P05362 1/20 0.33
▸ SELE P16581 1/20 0.33
▸ VCAM1 P19320 1/20 0.33

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
SCHEMBL23228815 0.92 HDAC6 (0.40) PTGER4
SCHEMBL21656881 0.89 LMNA (0.40) HPGDSMN1; SMN2PTGER4ALDH1A1LMNA
SCHEMBL21656878 0.89 PTGER4 (0.41) SMN1; SMN2PTGER4ALDH1A1LMNA
SCHEMBL23228813 0.88 PTGER4 (0.35) SMN1; SMN2PTGER4HPGDSKDM4ELMNA
SCHEMBL21656921 0.86 MAOB (0.41) TSHRPTGER4ALDH1A1LMNA
SCHEMBL23228802 0.86 SMN1; SMN2 (0.35) HPGDSMN1; SMN2PTGER4ALDH1A1LMNA
SCHEMBL21628614 0.83 NPC1 (0.45) HPGDTSHRHTTSMN1; SMN2PTGER4
SCHEMBL23228800 0.83 SLC6A2 (0.44) HPGDTSHRHTTSMN1; SMN2PLK1
SCHEMBL21656587 0.82 HPGD (0.58) HPGDTSHRHTTSMN1; SMN2PLK1
SCHEMBL21656893 0.82 OPRM1 (0.49) HPGDTSHRHTTSMN1; SMN2PLK1

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 HPGD 2579/4885TSHR 3747/4885HTT 550/4885

“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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