SCHEMBL4116802

SCHEMBL4116802

CCCOc1cccc[n+]1[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.37
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
KMT2A Q03164 5/20 0.33
MEN1 O00255 3/20 0.33
NPC1 O15118 2/20 0.33
TLR8 Q9NR97 1/20 0.33
SLC2A1 P11166 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LTA4H P09960 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL9618880 0.84 LMNA (0.39) RAB9ALMNAHTTALDH1A1KMT2A
SCHEMBL31547606 0.73
SCHEMBL2791561 0.73
SCHEMBL8442476 0.72 LMNA (0.35) RAB9ALMNAHTTALDH1A1KMT2A
Hydrochloric Acid SCHEMBL9313820 0.71 LMNA (0.41) RAB9ALMNAHTTALDH1A1CA12
SCHEMBL28531618 0.71 LMNA (0.41) RAB9ALMNAHTTALDH1A1CA12
SCHEMBL9730683 0.70 ABCB1 (0.39) LMNAHTTALDH1A1KMT2ASLC2A1
SCHEMBL27832671 0.70 MCHR1 (0.37) RAB9ALMNAHTTALDH1A1KMT2A
SCHEMBL9730680 0.70 ABCB1 (0.39) LMNAHTTALDH1A1KMT2ASLC2A1
SCHEMBL15901319 0.70 HPGD (0.40) RAB9ALMNACA12CA1CA2

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-20250387384-A1 ARIMOCLOMOL FOR TREATING GLUCOCEREBROSIDASE ASSOCIATED DISORDERS ZEVRA DENMARK AS (DK) 2025-12-25 US claimed
WO-2009068194-A2 HALOGEN-SUBSTITUTED Δ1 PYRROLINES BAYER CROPSCIENCE AG (DE) 2009-06-04 WO 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-20250387384-A1 ARIMOCLOMOL FOR TREATING GLUCOCEREBROSIDASE ASSOCIATED DISORDERS GBA1, GBA2, SNCA RAB9A 31/4885LMNA 592/4885HTT 59/4885

“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.