SCHEMBL5718232

SCHEMBL5718232

CC1=Cc2c(sc(C)c2-c2ccc(C(C)(C)C)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.37
ADRA1A P35348 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
ALDH1A1 P00352 6/20 0.35
NPSR1 Q6W5P4 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
HPGD P15428 3/20 0.35
LMNA P02545 2/20 0.35
CYP2C9 P11712 1/20 0.34
FPR1 P21462 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GRIA2 P42262 5/20 0.34
GRIA4 P48058 5/20 0.34
RECQL P46063 3/20 0.33
KIF11 P52732 2/20 0.33

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
SCHEMBL5718324 0.82 HTR1D (0.34) HTR1DADRA1ANISCHALDH1A1NPSR1
SCHEMBL25245248 0.81 PTGS2 (0.33) ALDH1A1NPSR1HPGDKDM4ENPC1
SCHEMBL1824700 0.80 MAPK1 (0.38) ALDH1A1SMN1; SMN2HPGDLMNACYP2C9
SCHEMBL25244357 0.78 APP (0.41) NISCHALDH1A1HPGDKDM4EMAPT
SCHEMBL5718215 0.77 ALDH1A1 (0.34) HTR1DADRA1ANISCHALDH1A1NPSR1
SCHEMBL25289822 0.73 IKBKB (0.38) NISCHALDH1A1NPSR1SMN1; SMN2HPGD
SCHEMBL1024342 0.72 TSHR (0.34) HTR1DADRA1ANISCHALDH1A1HPGD
SCHEMBL31451213 0.70 FGF23 (0.35) TSHRKDM4EKIF11
SCHEMBL690593 0.68 TSHR (0.36) HTR1DADRA1ANISCHALDH1A1SMN1; SMN2
SCHEMBL1807786 0.67 BRD4 (0.36) HTR1DADRA1ANISCHALDH1A1SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116410238-A Sulfur-containing chiral bridged metallocene compound, and preparation and application thereof 中国石油天然气股份有限公司 2023-07-11 CN disclosed
WO-2023124996-A1 SULFUR-CONTAINING CHIRAL BRIDGED METALLOECENE COMPOUND, PREPARATION THEREOF, AND APPLICATION 中国石油天然气股份有限公司 2023-07-06 WO disclosed
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 HTR1D 287/4885ADRA1A 1291/4885NISCH 4726/4885

“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.