SCHEMBL9760880

SCHEMBL9760880

O=c1c(Cl)c(-c2ccccc2)c1=O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
TYMP P19971 1/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ADORA3 P0DMS8 2/20 0.41
NR1H2 P55055 1/20 0.40
CYP1A2 P05177 1/20 0.40
HSP90AA1 P07900 1/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
ALDH1A1 P00352 1/20 0.38
CTRC Q99895 2/20 0.38
CYP2A6 P11509 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL24625466 0.95 HTT (0.65) HTTLMNAMAPTTYMPMEN1
SCHEMBL18392174 0.81 HTT (0.88) HTTLMNAMAPTTYMPMEN1
SCHEMBL8901808 0.76 TYMP (0.48) MAPTTYMPMEN1KMT2AALDH1A1
SCHEMBL9486338 0.75 LMNA (0.50) HTTLMNAMAPTTYMPMEN1
SCHEMBL15655133 0.75 LMNA (0.50) HTTLMNAMAPTTYMPMEN1
Diphencyprone SCHEMBL105663 0.75 HTT (1.00) HTTLMNAMAPTTYMPMEN1
SCHEMBL142795 0.73 LMNA (0.48) HTTLMNAMAPTTYMPMEN1
SCHEMBL24511038 0.73 LMNA (0.48) HTTLMNAMAPTTYMPMEN1
SCHEMBL10463403 0.72 ALDH1A1 (0.44) MAPTMEN1KMT2AALDH1A1CYP2A6
SCHEMBL10671387 0.72 PTGS2 (0.49) HTTMAPTMEN1KMT2ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10374258-B2 Cyclobutenedione derivative, nonaqueous electrolytic solution, and lithium ion secondary battery NEC CORPORATION (JP) 2019-08-06 US disclosed
US-10374258-B2 Cyclobutenedione derivative, nonaqueous electrolytic solution, and lithium ion secondary battery NEC CORPORATION (JP) 2019-08-06 US disclosed
US-20170210764-A1 CYCLOBUTENEDIONE DERIVATIVE, NONAQUEOUS ELECTROLYTIC SOLUTION, AND LITHIUM ION SECONDARY BATTERY NEC CORPORATION (JP) 2017-07-27 US disclosed
US-20170210764-A1 CYCLOBUTENEDIONE DERIVATIVE, NONAQUEOUS ELECTROLYTIC SOLUTION, AND LITHIUM ION SECONDARY BATTERY NEC CORPORATION (JP) 2017-07-27 US disclosed
US-20170210764-A1 CYCLOBUTENEDIONE DERIVATIVE, NONAQUEOUS ELECTROLYTIC SOLUTION, AND LITHIUM ION SECONDARY BATTERY NEC CORPORATION (JP) 2017-07-27 US disclosed
US-4986935-A NONLINEAR OPTICAL DEVICES; COMPOUND HAVING HIGH ACTIVITY FOR SECOND HARMONIC WAVE GENERATION FUJI XEROX CO., LTD. (JP) 1991-01-22 US disclosed
US-4751327-A Photoconductive imaging members with unsymmetrical squaraine compounds XEROX CORPORATION (US) 1988-06-14 US disclosed
US-4624904-A Photoconductive imaging members with unsymmetrical squaraine compounds containing an hydroxyl group XEROX CORPORATION (US) 1986-11-25 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-10374258-B2 Cyclobutenedione derivative, nonaqueous electrolytic solution, and lithium ion secondary battery HSD17B11, HSD17B7, HSD17B2 HTT 3964/4885LMNA 2294/4885MAPT 3984/4885
US-20170210764-A1 CYCLOBUTENEDIONE DERIVATIVE, NONAQUEOUS ELECTROLYTIC SOLUTION, AND LITHIUM ION SECONDARY BATTERY HSD17B11, HSD17B7, HSD17B2 HTT 3964/4885LMNA 2294/4885MAPT 3984/4885

“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.