SCHEMBL21656878

SCHEMBL21656878

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 8/20 0.41
▸ NPC1 O15118 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PPARG P37231 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PTGER2 P43116 2/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ LTA4H P09960 2/20 0.34
▸ EGFR P00533 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ LMNA P02545 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
SCHEMBL23228813 0.91 PTGER4 (0.35) PTGER4SMN1; SMN2LTA4HEGFRBTK
SCHEMBL21656881 0.90 LMNA (0.40) PTGER4ALDH1A1SMN1; SMN2P2RX3EGFR
SCHEMBL21656921 0.89 MAOB (0.41) PTGER4POLBCYP2C9ALDH1A1L3MBTL1
SCHEMBL23228802 0.89 SMN1; SMN2 (0.35) PTGER4ALDH1A1SMN1; SMN2LTA4HEGFR
SCHEMBL23228824 0.89 HPGD (0.38) PTGER4ALDH1A1SMN1; SMN2LMNA
SCHEMBL23228815 0.89 HDAC6 (0.40) PTGER4
SCHEMBL20482495 0.82 NPC1 (0.56) PTGER4NPC1POLBCYP2C9RAB9A
SCHEMBL23228801 0.82 RAB9A (0.45) NPC1POLBCYP2C9RAB9ALMNA
SCHEMBL21656972 0.81 MAPT (0.48) NPC1POLBCYP2C9RAB9AALDH1A1
SCHEMBL20827019 0.80 PTGER4 (0.51) PTGER4ALDH1A1L3MBTL1SMN1; SMN2

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 3 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-20210107863-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2021-04-15 — — 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 (3 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 PTGER4 4252/4885NPC1 4499/4885POLB 2979/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PTGER4 4387/4885NPC1 4591/4885POLB 3699/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PTGER4 4387/4885NPC1 4591/4885POLB 3699/4885

“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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