SCHEMBL12187101

SCHEMBL12187101

CCC(C)(C)/C=C/c1cc(-c2ccccc2)cs1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.36
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ BRD4 O60885 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ HSD17B1 P14061 1/20 0.30
▸ HSD17B2 P37059 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL2600074 0.83 HDAC6 (0.39) HDAC6CYP11B1CYP11B2L3MBTL1BRD4
SCHEMBL21654371 0.81 PRMT6 (0.38) KMT2A
SCHEMBL21654295 0.77 POLB (0.31) —
SCHEMBL15314018 0.74 HDAC6 (0.39) HDAC6CYP11B1CYP11B2BRD4ALDH1A1
SCHEMBL18869442 0.70 HDAC6 (0.39) HDAC6CYP11B1CYP11B2L3MBTL1ALDH1A1
SCHEMBL22022356 0.70 HDAC6 (0.36) HDAC6CYP11B1CYP11B2BRD4ALDH1A1
SCHEMBL6281994 0.70 CYP2C19 (0.48) L3MBTL1MEN1KMT2A
SCHEMBL8445207 0.70 HDAC6 (0.41) HDAC6CYP11B1CYP11B2L3MBTL1BRD4
SCHEMBL2789093 0.70 CYP2C19 (0.48) L3MBTL1MEN1KMT2A
SCHEMBL27708181 0.70 HDAC6 (0.41) HDAC6CYP11B1CYP11B2BRD4ALDH1A1

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-10543222-B2 Therapy for inhibition of single-stranded RNA virus replication REDHILL BIOPHARMA LTD. (IL) 2020-01-28 — — US disclosed
US-8063248-B2 3-(4-Chloro-phenyl)-adamantane-1-carboxylic acidisopropylamide; antiproliferative, antiinflammatory agent, angiogenesis inhibitor; sphingolipid-derived signaling pathway; coupling acid or acylhalide of phenyl-adamantane derivatives with aminoalkyl-pyridine APOGEE BIOTECHNOLOGY CORPORATION (US) 2011-11-22 — — US disclosed
US-20080167352-A1 Sphingosine Kinase Inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2008-07-10 — — 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-10543222-B2 Therapy for inhibition of single-stranded RNA virus replication RNMT, EIF2AK2, POLRMT HDAC6 645/4885CYP11B1 4792/4885CYP11B2 4843/4885
US-20080167352-A1 Sphingosine Kinase Inhibitors SPHK1, SPHK2, S1PR1 HDAC6 3800/4885CYP11B1 3847/4885CYP11B2 3787/4885

“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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