SCHEMBL12424978

SCHEMBL12424978

Ic1c(-c2ccccc2)c2sccc2c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.35
ESR2 Q92731 3/20 0.35
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
ALOX5 P09917 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA1 P30542 1/20 0.33
TERT O14746 1/20 0.33
ADORA2A P29274 1/20 0.33
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
PARP15 Q460N3 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PDPK1 O15530 1/20 0.32
ACHE P22303 1/20 0.32
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
SLC11A2 P49281 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
SCHEMBL27900555 0.79 MAPT (0.40) CDK4CCND1ALOX5ADORA2AMAPT
SCHEMBL10300214 0.78 PDPK1 (0.40) ESR1ESR2CDK4CCND1ALOX5
SCHEMBL14603345 0.78 TNKS (0.45) CDK4CCND1ADORA3ADORA1TERT
SCHEMBL13016375 0.76 ESR1 (0.45) ESR1ESR2PARP1ACHEMAPT
SCHEMBL22717148 0.76 ESR1 (0.48) ESR1ESR2PARP1ACHEMAPT
SCHEMBL30099100 0.76 TNKS (0.41) CDK4CCND1ADORA3ADORA1TERT
SCHEMBL27900501 0.75 PDE4A (0.38) ESR1ESR2ALOX5ADORA3ADORA1
SCHEMBL3374513 0.74 PDPK1 (0.40) ESR1ESR2CDK4CCND1ALOX5
SCHEMBL27986118 0.74 PDE4A (0.36) CDK4CCND1ALOX5ADORA3ADORA1
SCHEMBL991321 0.73 TNKS (0.45) CDK4CCND1ADORA3ADORA1TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9028977-B2 Compound, method for preparing same and organic electronic device using same LG CHEM, LTD. (KR) 2015-05-12 US disclosed
US-9028977-B2 Compound, method for preparing same and organic electronic device using same LG CHEM, LTD. (KR) 2015-05-12 US disclosed
US-20110168992-A1 NOVEL COMPOUND, METHOD FOR PREPARING SAME AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2011-07-14 US disclosed
US-20110168992-A1 NOVEL COMPOUND, METHOD FOR PREPARING SAME AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2011-07-14 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-20110168992-A1 NOVEL COMPOUND, METHOD FOR PREPARING SAME AND ORGANIC ELECTRONIC DEVICE USING SAME OR10J3, USE1, NOTUM ESR1 78/4885ESR2 726/4885CDK4 2299/4885

“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.