SCHEMBL21656871

SCHEMBL21656871

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ LPAR1 Q92633 9/20 0.43
▸ LPAR5 Q9H1C0 9/20 0.43
▸ IGFBP3 P17936 2/20 0.40
▸ EPHX2 P34913 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ TTR P02766 1/20 0.38
▸ S1PR2 O95136 1/20 0.38

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
SCHEMBL21657031 0.90 PARP10 (0.46) LPAR1LPAR5IGFBP3
SCHEMBL21656908 0.89 ALDH1A1 (0.46) LMNAMAPK1LPAR1LPAR5
SCHEMBL21656937 0.89 SLC6A2 (0.45) LPAR1LPAR5IGFBP3
SCHEMBL21657024 0.89 ALDH1A1 (0.36) MAPK1LPAR1LPAR5
SCHEMBL23228801 0.88 RAB9A (0.45) RAB9ALMNAMAPK1HTTNPC1
SCHEMBL21628475 0.83 RAB9A (0.63) RAB9ALMNAMAPK1HTTNPC1
SCHEMBL20470550 0.82 RAB9A (0.42) RAB9ALMNAMAPK1NPC1POLB
SCHEMBL19357374 0.80 RAB9A (0.56) RAB9ALMNAMAPK1HTTNPC1
SCHEMBL23228767 0.78 PARP10 (0.44) MAPK1IGFBP3
SCHEMBL23228792 0.77 ALDH1A1 (0.44) LMNAMAPK1IGFBP3

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 RAB9A 3345/4885LMNA 3083/4885MAPK1 3401/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK RAB9A 2955/4885LMNA 3327/4885MAPK1 3508/4885

“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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