SCHEMBL29617337

SCHEMBL29617337

Ic1ccc2c3ccccc3c3ccccc3c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.41
CCNB2 O95067 2/20 0.34
CDK1 P06493 2/20 0.34
CCNB1 P14635 2/20 0.34
GSK3A P49840 2/20 0.34
GSK3B P49841 2/20 0.34
CDK5 Q00535 2/20 0.34
CDK5R1 Q15078 2/20 0.34
CCNB3 Q8WWL7 2/20 0.34
FLT3 P36888 1/20 0.34
PARP1 P09874 1/20 0.33
TRPM4 Q8TD43 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 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
SCHEMBL12741708 1.00 HPRT1 (0.41) HPRT1CCNB2CDK1CCNB1GSK3A
SCHEMBL19336421 1.00 HPRT1 (0.41) HPRT1CCNB2CDK1CCNB1GSK3A
SCHEMBL22589523 0.86 MEN1 (0.43) HPRT1CCNB2CDK1CCNB1GSK3A
SCHEMBL22594660 0.86 KIF11 (0.44) HPRT1CYP1A2ALDH1A1CYP2A6TDP1
SCHEMBL26465858 0.86 KIF11 (0.44) HPRT1CYP1A2ALDH1A1CYP2A6TDP1
SCHEMBL19558294 0.83 HPRT1 (0.64) HPRT1TRPM4CYP1A2CYP2C9CYP2C19
SCHEMBL12589218 0.83 CYP1A2 (0.36) CYP1A2ALDH1A1HSD17B10THRBHPGD
SCHEMBL21636069 0.81 ALOX5 (0.40) CYP1A2ALDH1A1HSD17B10THRBHPGD
SCHEMBL20961503 0.81 CYP1A2 (0.39) FLT3CYP1A2ALDH1A1HSD17B10THRB
SCHEMBL18365694 0.81 CDK9 (0.39) CYP1A2ALDH1A1HSD17B10THRBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250275354-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2025-08-28 US disclosed
US-20240431202-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2024-12-26 US disclosed
US-20220162205-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-05-26 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 (2 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-20220162205-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM HPRT1 333/4885CCNB2 2701/4885CDK1 2938/4885
US-20240431202-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MCU, PC, MLYCD HPRT1 1075/4885CCNB2 1114/4885CDK1 178/4885

“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.