SCHEMBL13634002

SCHEMBL13634002

CCCCOC(=O)[C@H](Cc1ccccc1)NCl

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
POLB P06746 1/20 0.49
BIRC2 Q13490 1/20 0.46
ACE P12821 2/20 0.45
ACE2 Q9BYF1 2/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
CTSK P43235 2/20 0.44
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
TACR1 P25103 1/20 0.44

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
SCHEMBL18202442 0.91 POLB (0.51) TSHRALDH1A1POLBGAARAB9A
SCHEMBL807262 0.88 TSHR (0.50) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL27515952 0.87 POLB (0.54) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL19364381 0.87 ITGB1 (0.53) ALDH1A1MAPK1
SCHEMBL19088526 0.86 TSHR (0.48) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL9488064 0.86 TACR1 (0.61) TSHRALDH1A1POLBBIRC2GAA
SCHEMBL9486892 0.86 TACR1 (0.61) TSHRALDH1A1POLBBIRC2GAA
SCHEMBL21578800 0.86 TSHR (0.48) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL9487238 0.85 POLB (0.53) TSHRALDH1A1POLBBIRC2GAA
SCHEMBL9487233 0.85 POLB (0.53) TSHRALDH1A1POLBBIRC2GAA

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-20090291922-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2009-11-26 US disclosed
WO-2007002808-A1 ANTI-NONMELANOMA CARCINOMA COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2007-01-04 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-20090291922-A1 ANTI-PROLIFERATIVE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF CCNY, CCNO, CCNB3 TSHR 541/4885TDP1 1536/4885L3MBTL1 2685/4885

“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.