SCHEMBL13009495

SCHEMBL13009495

Cc1ccc2c3c(ccc(C)c13)C(=O)OC2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 5/20 0.48
ALOX15 P16050 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TDP2 O95551 1/20 0.38
NSD2 O96028 1/20 0.38
HSP90AA1 P07900 1/20 0.38
PAX8 Q06710 1/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPT P10636 1/20 0.37
PABPC1 P11940 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL148025 0.84 TYMS (0.62) TYMSALOX15TDP1MEN1POLB
SCHEMBL6391690 0.80 SNCA (0.37) TYMSALOX15TDP1TDP2NSD2
SCHEMBL6984126 0.79 MAPT (0.62) TYMSALOX15TDP1MEN1POLB
SCHEMBL11947506 0.78 MAPT (0.49) TYMSALOX15TDP1MEN1POLB
SCHEMBL14003684 0.78 MAPT (0.49) TYMSALOX15TDP1MEN1POLB
SCHEMBL12109752 0.77 TDP2 (0.54) TDP2NSD2HSP90AA1PAX8MEN1
SCHEMBL16847280 0.76 TYMS (0.56) TYMSTDP1POLBKDM4ECYP1A2
SCHEMBL2607526 0.76 TYMS (0.41) TYMSALOX15TDP1MEN1POLB
SCHEMBL15119575 0.75 TDP1 (0.65) TYMSALOX15TDP1TDP2MEN1
SCHEMBL31185814 0.75 TYMS (0.52) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020203514-A1 COLORING COMPOSITION, COMPOUND, COLOR FILTER, AND DISPLAY DEVICE 住友化学株式会社 2020-10-08 WO disclosed
US-9790423-B2 Cyanated naphthalenebenzimidazole compounds BASF SE (DE) 2017-10-17 US disclosed
US-20160177177-A1 CYANATED NAPHTHALENEBENZIMIDAZOLE COMPOUNDS BASF SE (DE) 2016-06-23 US disclosed
US-8894881-B2 1,8-naphthalimide derivatives as scintillation agents, in particular for discriminating between fast neutrons and gamma rays COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2014-11-25 US disclosed
US-20100314556-A1 1,8-NAPHTHALIMIDE DERIVATIVES AS SCINTILLATION AGENTS, IN PARTICULAR FOR DISCRIMINATING BETWEEN FAST NEUTRONS AND GAMMA RAYS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2010-12-16 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-20100314556-A1 1,8-NAPHTHALIMIDE DERIVATIVES AS SCINTILLATION AGENTS, IN PARTICULAR FOR DISCRIMINATING BETWEEN FAST NEUTRONS AND GAMMA RAYS NPM1, NDC1, KPNB1 TYMS 490/4885ALOX15 4816/4885TDP1 311/4885
US-20160177177-A1 CYANATED NAPHTHALENEBENZIMIDAZOLE COMPOUNDS RB1, RARB, RARA TYMS 4324/4885ALOX15 4653/4885TDP1 2520/4885

“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.