SCHEMBL12412960

SCHEMBL12412960

Cc1ccc2c(c1)sc1c3sc4c(sc5c6sc7cc(C)ccc7c6n(C)c54)c3n(C)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.38
BCL2L1 Q07817 1/20 0.38
CYP2A6 P11509 3/20 0.35
PARP15 Q460N3 2/20 0.35
PARP14 Q460N5 2/20 0.35
PARP10 Q53GL7 2/20 0.35
TNKS2 Q9H2K2 2/20 0.35
PARP2 Q9UGN5 2/20 0.35
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
TIPARP Q7Z3E1 1/20 0.35
PARP16 Q8N5Y8 1/20 0.35
PARP12 Q9H0J9 1/20 0.35
PARP11 Q9NR21 1/20 0.35
PARP4 Q9UKK3 1/20 0.35
PARP3 Q9Y6F1 1/20 0.35
MAPT P10636 7/20 0.33
RAB9A P51151 6/20 0.33
NPC1 O15118 3/20 0.33
LMNA P02545 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
SCHEMBL12412980 0.93 MCL1 (0.38) MCL1BCL2L1CYP2A6PARP15PARP14
SCHEMBL12413187 0.84 MCL1 (0.37) MCL1BCL2L1CYP2A6PARP15PARP14
SCHEMBL17281047 0.83 MCL1 (0.36) MCL1BCL2L1CYP2A6PARP15PARP14
SCHEMBL12503561 0.81 ESR1 (0.38)
SCHEMBL12412978 0.79 PKM (0.33) MCL1BCL2L1CYP2A6PARP15PARP14
SCHEMBL12413042 0.79 KDM4E (0.30) KDM4E
SCHEMBL12412996 0.79 ESR2 (0.33) MCL1BCL2L1GAAALDH1A1HPGD
SCHEMBL12412954 0.78 SMN1; SMN2 (0.36) MCL1BCL2L1CYP2A6PARP15PARP14
SCHEMBL12796843 0.77 BCL2L1 (0.44) MCL1BCL2L1CYP2A6PARP15PARP14
SCHEMBL11892121 0.77 BCL2L1 (0.44) MCL1BCL2L1CYP2A6PARP15PARP14

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-20110166362-A1 NOVEL COMPOUND AND ORGANIC SEMICONDUCTOR MATERIAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-07 US disclosed
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 MCL1 4068/4885BCL2L1 2064/4885CYP2A6 1661/4885

“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.