SCHEMBL2607526

SCHEMBL2607526

Cc1cc2c3c(ccc4c5c(C)cc6c7c(ccc(c1c34)c75)C(=O)OC6=O)C(=O)OC2=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYMS P04818 6/20 0.41
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
ESR1 P03372 4/20 0.33
ESR2 Q92731 4/20 0.33
AR P10275 3/20 0.33
ALDH1A1 P00352 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
SCHEMBL12894516 0.87 TYMS (0.33) TYMS
SCHEMBL14296961 0.87 TYMS (0.33) TYMS
SCHEMBL27316637 0.86 TYMS (0.34) TYMSMEN1POLBKMT2AAR
SCHEMBL13590977 0.81 TYMS (0.33) TYMSMEN1POLBKMT2AAR
SCHEMBL13010657 0.80 TDP1 (0.40) TYMSALOX15TDP1MEN1POLB
SCHEMBL24166827 0.79 TYMS (0.42) TYMSALOX15TDP1MEN1POLB
SCHEMBL4324585 0.78 TYMS (0.41) TYMSALOX15TDP1MEN1POLB
SCHEMBL32670397 0.78 TYMS (0.41) TYMSALOX15TDP1MEN1POLB
SCHEMBL1188564 0.78 TYMS (0.41) TYMSALOX15TDP1MEN1POLB
SCHEMBL29580210 0.78 TYMS (0.41) TYMSALOX15TDP1MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170158620-A1 COMPOUND WITH BRANCHING ALKYL CHAINS, METHOD FOR PREPARING THE SAME, AND USE THEREOF IN PHOTOELECTRIC DEVICE BOE TECHNOLOGY GROUP CO LTD (CN) 2017-06-08 US disclosed
US-9611216-B2 Compound with branching alkyl chains, method for preparing the same, and use thereof in photoelectric device BOE TECHNOLOGY GROUP CO., LTD. (CN) 2017-04-04 US disclosed
US-20160002164-A1 COMPOUND WITH BRANCHING ALKYL CHAINS, METHOD FOR PREPARING THE SAME, AND USE THEREOF IN PHOTOELECTRIC DEVICE BOE TECHNOLOGY GROUP CO LTD (CN) 2016-01-07 US disclosed
US-9209405-B2 Compound with branching alkyl chains, method for preparing the same, and use thereof in photoelectric device PEKING UNIVERSITY (CN) 2015-12-08 US disclosed
US-20140011973-A1 COMPOUND WITH BRANCHING ALKYL CHAINS, METHOD FOR PREPARING THE SAME, AND USE THEREOF IN PHOTOELECTRIC DEVICE PEKING UNIVERSITY (CN) 2014-01-09 US disclosed
US-20120091449-A1 ORGANIC ELECTROLUMINESCENT ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-19 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-20170158620-A1 COMPOUND WITH BRANCHING ALKYL CHAINS, METHOD FOR PREPARING THE SAME, AND USE THEREOF IN PHOTOELECTRIC DEVICE PCNA, EPCAM, DNMT1 TYMS 571/4885ALOX15 539/4885TDP1 1889/4885
US-20160002164-A1 COMPOUND WITH BRANCHING ALKYL CHAINS, METHOD FOR PREPARING THE SAME, AND USE THEREOF IN PHOTOELECTRIC DEVICE OR10J3, EPCAM, PCNA TYMS 479/4885ALOX15 328/4885TDP1 1458/4885

“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.