SCHEMBL5718246

SCHEMBL5718246

Cc1cccc(-c2csc(C(=O)CC(C)C)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 1/20 0.42
▸ HSD17B1 P14061 2/20 0.41
▸ HSD17B2 P37059 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MMP12 P39900 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ICMT O60725 1/20 0.37
▸ CTSB P07858 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PPARG P37231 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
SCHEMBL13376205 0.79 DAO (0.55) CTSAHSD17B1HSD17B2MAPTMMP12
SCHEMBL5718227 0.77 MAPT (0.40) CTSAHSD17B1HSD17B2ALDH1A1MAPT
SCHEMBL27316069 0.75 HSD17B1 (0.53) HSD17B1HSD17B2HDAC6HPGDSMN1; SMN2
SCHEMBL12960171 0.71 PARP1 (0.53) ALDH1A1MAPTHDAC6HPGDSMN1; SMN2
SCHEMBL6563992 0.70 HSD17B1 (0.60) HSD17B1HSD17B2HDAC6
SCHEMBL27688659 0.68 HDAC6 (0.57) HSD17B1HSD17B2ALDH1A1MAPTMMP12
M-Xylene SCHEMBL11058726 0.68 ACHE (0.56) HDAC6HPGDSMN1; SMN2HSD17B10LMNA
SCHEMBL20288135 0.68 HPGD (0.48) HSD17B1HSD17B2ALDH1A1HPGDSMN1; SMN2
SCHEMBL30916744 0.68 MAPT (0.53) ALDH1A1MAPTHPGDCNR1CNR2
SCHEMBL2319480 0.66 PGR (0.46) ALDH1A1MAPTCNR1CNR2HSD17B10

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-7141637-B2 Metallocene compounds and process for the preparation of propylene polymers BASELL POLYOLEFINE GMBH (DE) 2006-11-28 — — US disclosed
EP-1448578-B1 METALLOCENE COMPOUNDS AND PROCESS FOR THE PREPARATION OF PROPYLENE POLYMERS BASELL POLYOLEFINE GMBH (DE) 2006-07-26 — — EP disclosed
US-20050010058-A1 Such as {Dimethyl-silyl-(5-isopropyl-2-methyl-3-phenyl-cyclopento[2,3-b]thiophen-6-yl)-(2-methyl-4-phenyl-[3a,4-dihydro]azulen-1-yl)}ZrCl2 catalyst for homo or copolymerization of propylene EXXONMOBIL CHEMICAL PATENTS INC. 2005-01-13 — — 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-20050010058-A1 Such as {Dimethyl-silyl-(5-isopropyl-2-methyl-3-phenyl-cyclopento[2,3-b]thiophen-6-yl)-(2-methyl-4-phenyl-[3a,4-dihydro]azulen-1-yl)}ZrCl2 catalyst for homo or copolymerization of propylene CHRM1, YWHAZ, PYM1 CTSA 4085/4885HSD17B1 1811/4885HSD17B2 2074/4885

“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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