SCHEMBL23228801

SCHEMBL23228801

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPC1 O15118 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ IGFBP3 P17936 2/20 0.41
▸ LPAR1 Q92633 8/20 0.40
▸ LPAR5 Q9H1C0 8/20 0.40
▸ TTR P02766 2/20 0.39
▸ S1PR2 O95136 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PPARD Q03181 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL23228767 0.90 PARP10 (0.44) MAPK1IGFBP3MAPT
SCHEMBL23228792 0.89 ALDH1A1 (0.44) LMNAMAPK1IGFBP3MAPT
SCHEMBL21656973 0.88 HDAC1 (0.42) MAPT
SCHEMBL23228809 0.88 SLC6A2 (0.46) IGFBP3LPAR1LPAR5MAPT
SCHEMBL23228785 0.88 CA12 (0.37) LMNAMAPK1IGFBP3MAPT
SCHEMBL23228800 0.88 SLC6A2 (0.44) MAPK1HTTS1PR2MAPT
SCHEMBL21656871 0.88 RAB9A (0.44) RAB9ALMNAMAPK1HTTNPC1
SCHEMBL21656878 0.82 PTGER4 (0.41) RAB9ALMNANPC1POLBCYP2C9
SCHEMBL20953498 0.81 MAPT (0.40) RAB9ALMNAMAPK1NPC1MAPT
SCHEMBL21628475 0.81 RAB9A (0.63) RAB9ALMNAMAPK1HTTNPC1

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 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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