SCHEMBL16503537

SCHEMBL16503537

C=C(C)CC(C)c1cc(C)cc(OC)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABCB11 O95342 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HTT P42858 1/20 0.35
▸ TACR1 P25103 1/20 0.35
▸ PTPN1 P18031 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ACHE P22303 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PTGS2 P35354 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
SCHEMBL17755164 0.77 ALDH1A1 (0.50) ABCB11ALDH1A1L3MBTL1
SCHEMBL17755166 0.77 L3MBTL1 (0.51) ABCB11L3MBTL1
SCHEMBL16956060 0.74 ALDH1A1 (0.40) ALDH1A1HTTTACR1PTPN1CYP3A4
SCHEMBL21366670 0.74 ALDH1A1 (0.40) ALDH1A1HTTTACR1PTPN1CYP3A4
SCHEMBL2758299 0.74 ALDH1A1 (0.45) ALDH1A1HTTTACR1PTPN1CYP3A4
SCHEMBL16284309 0.72 PTGS2 (0.42) KDM4EL3MBTL1PTGS2
SCHEMBL15695556 0.72 PTGS2 (0.42) KDM4EL3MBTL1PTGS2
SCHEMBL16953674 0.72 ABCB11 (0.37) ABCB11ALDH1A1HTTTACR1PTPN1
SCHEMBL9119439 0.72 CYP3A4 (0.38) ALDH1A1TACR1PTPN1CYP3A4KDM4E
SCHEMBL9397903 0.71 ADRB2 (0.39) ALDH1A1TACR1PTPN1CYP3A4ACHE

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-9079869-B2 Chiral disulfonimides STUDIENGESELLSCHAFT KOHLE MBH (DE) 2015-07-14 — — US disclosed
US-20110313150-A1 CHIRAL DISULFONIMIDES STUDIENGESELLSCHAFT KOHLE MBH (DE) 2011-12-22 — — 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-20110313150-A1 CHIRAL DISULFONIMIDES STS, SUDS3, SF1 ABCB11 1433/4885ALDH1A1 86/4885HTT 4664/4885

“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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