SCHEMBL3637069

SCHEMBL3637069

CCCC[Sn](CCCC)(c1ccccc1C)c1ccccc1C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ACHE P22303 2/20 0.36
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
PTGS2 P35354 2/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
P2RX7 Q99572 1/20 0.33
CHRM2 P08172 1/20 0.32
TLR8 Q9NR97 1/20 0.32
PCSK9 Q8NBP7 1/20 0.31
LTA4H P09960 1/20 0.31
MAPT P10636 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 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
SCHEMBL1453183 0.83 TSHR (0.36) TSHRACHEALDH1A1TP53HTT
SCHEMBL29746282 0.78 TSHR (0.43) TSHRACHEALDH1A1TP53HTT
SCHEMBL7641287 0.74 ACHE (0.39) TSHRACHEALDH1A1HTTCHRM2
O-Xylene SCHEMBL7939277 0.71 TSHR (0.62) TSHRACHEALDH1A1PTGS2HTT
O-Xylene SCHEMBL10976233 0.71 TSHR (0.62) TSHRACHEALDH1A1TP53HTT
O-Xylene SCHEMBL10970480 0.71 TSHR (0.62) TSHRACHEALDH1A1TP53HTT
O-Xylene SCHEMBL2907036 0.71 TSHR (0.62) TSHRACHEALDH1A1TP53HTT
O-Xylene SCHEMBL11192456 0.71 TSHR (0.62) TSHRACHEALDH1A1TP53HTT
O-Xylene SCHEMBL11166318 0.71 TSHR (0.62) TSHRACHEALDH1A1TP53HTT
O-Xylene SCHEMBL11212422 0.71 TSHR (0.62) TSHRACHEALDH1A1TP53HTT

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
EP-2170825-A2 SUBSTITUTED INDOLES Auspex Pharmaceuticals, Inc. (US) 2010-04-07 EP disclosed
US-20090191183-A1 SUBSTITUTED INDOLES AUSPEX PHARMACEUTICALS, INC. (US) 2009-07-30 US disclosed
WO-2009018280-A2 SUBSTITUTED INDOLES AUSPEX PHARAMACEUTICALS, INC. (US) 2009-02-05 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-20090191183-A1 SUBSTITUTED INDOLES CYSLTR1, LTB4R, LTB4R2 TSHR 606/4885ACHE 1642/4885ALDH1A1 717/4885

“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.