SCHEMBL12503513

SCHEMBL12503513

Cc1ccc2c(c1)sc1c3cc4sc5c(sc6c7sc8cc(C)ccc8c7n(-c7ccc(O)cc7)c56)c4cc3sc21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.34
ESR2 Q92731 6/20 0.34
HTT P42858 1/20 0.33
BCL2L1 Q07817 1/20 0.33
MCL1 Q07820 1/20 0.33
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RPA1 P27694 1/20 0.31
ACHE P22303 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
SCHEMBL12504727 0.96 ESR1 (0.34) ESR1ESR2HTTBCL2L1MCL1
SCHEMBL12504737 0.95 ESR1 (0.36) ESR1ESR2HTTBCL2L1MCL1
SCHEMBL12503793 0.92 ESR1 (0.36) ESR1ESR2HTTBCL2L1MCL1
SCHEMBL12412886 0.92 SMN1; SMN2 (0.34) BCL2L1MCL1POLBSMN1; SMN2ALDH1A1
SCHEMBL12503776 0.89 HTT (0.38) ESR1ESR2HTTBCL2L1MCL1
SCHEMBL12412829 0.88 SMN1; SMN2 (0.34) HTTBCL2L1MCL1POLBSMN1; SMN2
SCHEMBL12412954 0.86 SMN1; SMN2 (0.36) HTTBCL2L1MCL1POLBSMN1; SMN2
SCHEMBL12503777 0.85 ESR2 (0.36) ESR1ESR2HTTBCL2L1MCL1
SCHEMBL12503515 0.85 ESR2 (0.35) ESR1ESR2
SCHEMBL12504741 0.85 ESR1 (0.41) ESR1ESR2HTTPOLBALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166362-A1 NOVEL COMPOUND AND ORGANIC SEMICONDUCTOR MATERIAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-07 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-20110166362-A1 NOVEL COMPOUND AND ORGANIC SEMICONDUCTOR MATERIAL SCLY, MSRB3, SOD1 ESR1 425/4885ESR2 75/4885HTT 4130/4885

“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.