SCHEMBL986052

SCHEMBL986052

O=C(C(Cl)c1ccccc1)C1CC1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP1A2 P05177 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SRC P12931 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
GRM2 Q14416 2/20 0.36
GRM3 Q14832 2/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
THRB P10828 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL242257 0.79 CES2 (0.52) CYP2D6TSHRMAPK1CYP3A4CYP1A2
SCHEMBL3761182 0.76 ALDH1A1 (0.44) CYP2D6TSHRMAPK1MEN1KMT2A
SCHEMBL1173291 0.72 CYP2D6 (0.48) CYP2D6TSHRMAPK1MEN1KMT2A
SCHEMBL9823813 0.72 CYP2D6 (0.48) CYP2D6TSHRMAPK1MEN1KMT2A
SCHEMBL286907 0.72 CYP2D6 (0.48) CYP2D6TSHRMAPK1MEN1KMT2A
SCHEMBL9181806 0.69 CYP2D6 (0.50) CYP2D6TSHRMAPK1MEN1KMT2A
SCHEMBL664900 0.69 SRC (0.56) CYP2D6TSHRMAPK1CYP3A4HSD17B10
SCHEMBL5325296 0.69 SRC (0.56) CYP2D6TSHRMAPK1CYP3A4HSD17B10
SCHEMBL8698888 0.69 CYP2D6 (0.44) CYP2D6TSHRMAPK1MEN1KMT2A
SCHEMBL14244778 0.68 RECQL (0.60) TSHRCYP3A4HSD17B10MEN1KMT2A

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-20110003847-A1 Prasugrel Salts with Improved Properties HELM AG (DE) 2011-01-06 US disclosed
EP-2257556-A1 PRASUGREL SALTS WITH IMPROVED PROPERTIES Helm AG (DE) 2010-12-08 EP disclosed
WO-2009098142-A1 PRASUGREL SALTS WITH IMPROVED PROPERTIES HELM AG (DE) 2009-08-13 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-20110003847-A1 Prasugrel Salts with Improved Properties P2RY6, PF4, PFKP CYP2D6 49/4885TSHR 4161/4885MAPK1 1395/4885

“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.