SCHEMBL5718227

SCHEMBL5718227

C=C(C(=O)c1cc(-c2cccc(C)c2)cs1)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HSD17B1 P14061 5/20 0.38
▸ HSD17B2 P37059 5/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ CNR1 P21554 2/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CTSA P10619 1/20 0.36
▸ MMP12 P39900 1/20 0.36
▸ DHODH Q02127 1/20 0.35
▸ AKR1C2 P52895 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C1 Q04828 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ LDHA P00338 1/20 0.34

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 0.78 DAO (0.55) MAPTHSD17B1HSD17B2HDAC6CNR1
SCHEMBL5718246 0.77 CTSA (0.42) MAPTALDH1A1HSD17B1HSD17B2HDAC6
SCHEMBL27316069 0.74 HSD17B1 (0.53) HSD17B1HSD17B2HDAC6CNR1CNR2
SCHEMBL13044160 0.67 HDAC6 (0.57) HSD17B1HSD17B2HDAC6CNR1MMP12
SCHEMBL20288135 0.67 HPGD (0.48) ALDH1A1HSD17B1HSD17B2CNR1HSD17B10
SCHEMBL30916744 0.67 MAPT (0.53) MAPTALDH1A1CNR1CNR2HSD17B10
SCHEMBL14944580 0.65 HDAC6 (0.58) HDAC6MMP12
SCHEMBL2319480 0.65 PGR (0.46) MAPTALDH1A1CNR1CNR2HSD17B10
SCHEMBL17715729 0.65 AKR1C2 (0.40) MAPTALDH1A1HSD17B1HSD17B2CNR1
SCHEMBL23773782 0.65 ALDH1A1 (0.43) ALDH1A1HSD17B1HSD17B2HSD17B10SMN1; SMN2

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 5 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
EP-1448578-A1 METALLOCENE COMPOUNDS AND PROCESS FOR THE PREPARATION OF PROPYLENE POLYMERS Basell Polyolefine GmbH (DE) 2004-08-25 — — EP disclosed
WO-2003045964-A1 METALLOCENE COMPOUNDS AND PROCESS FOR THE PREPARATION OF PROPYLENE POLYMERS BASELL POLYOLEFINE GMBH (DE) 2003-06-05 — — 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-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 MAPT 4468/4885ALDH1A1 2017/4885HSD17B1 1811/4885

“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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