SCHEMBL18030223

SCHEMBL18030223

CCCCOc1ccc(I)cc1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PTGES O14684 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ CYSLTR2 Q9NS75 2/20 0.36
▸ CYSLTR1 Q9Y271 2/20 0.36
▸ CALM1 P0DP23 1/20 0.36
▸ RXRA P19793 1/20 0.36

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
SCHEMBL19121870 0.86 GABRA1 (0.41) CYP1A2CYP2C9CYP2C19MEN1CYP3A4
SCHEMBL12889914 0.81 CALM1 (0.42) CYP1A2CYP2C9CYP2C19MEN1CYP3A4
SCHEMBL13240539 0.80 THRA (0.43) CYP1A2CYP2C9CYP2C19MEN1CYP3A4
SCHEMBL29970124 0.78 GABRA1 (0.37) CYP1A2CYP2C9CYP2C19MEN1CYP3A4
SCHEMBL30096973 0.78 PTPN11 (0.47) CYP1A2CYP2C9CYP2C19MEN1CYP3A4
SCHEMBL19617651 0.78 GABRA1 (0.37) CYP1A2CYP2C9CYP2C19MEN1CYP3A4
SCHEMBL8300246 0.77 ESR1 (0.51) CYP1A2CYP2C9CYP2C19L3MBTL1ALDH1A1
SCHEMBL12952630 0.77 ALDH1A1 (0.50) MEN1KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL14026787 0.77 SMN1; SMN2 (0.41) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL17485632 0.76 L3MBTL1 (0.46) CYP1A2CYP2C9CYP2C19MEN1KMT2A

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-9701650-B2 Derivatives of sobetirome OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-07-11 — — US disclosed
WO-2016134292-A1 DERIVATIVES OF SOBETIROME OREGON HEALTH & SCIENCE UNIVERSITY (US) 2016-08-25 — — WO disclosed
US-20160244418-A1 DERIVATIVES OF SOBETIROME OREGON HEALTH & SCIENCE UNIVERSITY (US) 2016-08-25 — — 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-20160244418-A1 DERIVATIVES OF SOBETIROME SLC18A2, SLC6A2, SLC6A4 CYP1A2 207/4885CYP2C9 404/4885CYP2C19 197/4885

“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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