SCHEMBL10270868

SCHEMBL10270868

CC1=Cc2c(-c3ccc(C(C)(C)C)cc3)ccc(-c3ccc(C(C)(C)C)cc3)c2C1SC1C(C)=Cc2c(-c3ccc(C(C)(C)C)cc3)ccc(-c3ccc(C(C)(C)C)cc3)c21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
TP53 P04637 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KIF11 P52732 4/20 0.33
DGAT1 O75907 1/20 0.32
HTT P42858 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 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
SCHEMBL690091 0.78 NPC1 (0.38) TSHRTP53NPC1LMNARAB9A
SCHEMBL690010 0.75 TSHR (0.31) TSHRTP53NPC1LMNARAB9A
SCHEMBL1032918 0.75 TSHR (0.32) TSHRTP53NPC1LMNARAB9A
Hydrochloric Acid SCHEMBL688913 0.74 TSHR (0.30) TSHRTP53NPC1LMNARAB9A
SCHEMBL690009 0.74 NPC1 (0.33) TSHRTP53NPC1LMNARAB9A
SCHEMBL688912 0.72 NPC1 (0.31) TP53NPC1LMNARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL1030540 0.70 KIF11 (0.31) KIF11
SCHEMBL6384768 0.68 KDM4E (0.30) SMN1; SMN2HTT
SCHEMBL21381466 0.67 TSHR (0.40) TSHRTP53NPC1LMNARAB9A
SCHEMBL690894 0.67 NPC1 (0.31) TP53NPC1LMNARAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168556-B2 Racemoselective synthesis of ansa-metallocene compounds, ansa-metallocene compounds, catalysts comprising them, process for producing an olefin polymer by use of the catalysts, and olefin homo- and copolymers LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) 2012-05-01 US disclosed
US-20100261860-A1 RACEMOSELECTIVE SYNTHESIS OF ANSA-METALLOCENE COMPOUNDS, ANSA-METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO- AND COPOLYMERS LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) 2010-10-14 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-20100261860-A1 RACEMOSELECTIVE SYNTHESIS OF ANSA-METALLOCENE COMPOUNDS, ANSA-METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO- AND COPOLYMERS MAOA, SNCA, ARSA TSHR 4600/4885TP53 4214/4885NPC1 1969/4885

“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.