SCHEMBL308249

SCHEMBL308249

Cc1cccc(C(O)(C(F)(F)F)C(F)(F)F)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.46
TRPA1 O75762 1/20 0.46
AR P10275 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
KCNJ11 Q14654 4/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 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
SCHEMBL23641873 0.83 AR (0.45) ATMARSMN1; SMN2KCNJ11MEN1
SCHEMBL15957667 0.83 TRPA1 (0.50) ATMTRPA1SMN1; SMN2GABRA1GABRB2
SCHEMBL5222166 0.83 SMN1; SMN2 (0.46) ATMARSMN1; SMN2GABRA1GABRB2
SCHEMBL15957696 0.82 AR (0.50) ATMTRPA1ARGABRA1GABRB2
SCHEMBL13199242 0.80 AR (0.56) ATMARSMN1; SMN2KCNJ11MEN1
SCHEMBL15957889 0.79 TRPA1 (0.46) ATMTRPA1SMN1; SMN2GABRA1GABRB2
SCHEMBL5358414 0.78 TRPA1 (0.44) ATMTRPA1SMN1; SMN2GABRA1GABRB2
SCHEMBL3821590 0.78 TRPA1 (0.48) ATMTRPA1ARGABRA1GABRB2
SCHEMBL30867018 0.78 TRPA1 (0.48) ATMTRPA1ARGABRA1GABRB2
SCHEMBL27684352 0.78 TRPA1 (0.54) ATMTRPA1SMN1; SMN2GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993710-B1 Polyimides derived from novel asymmetric benzophenone dianhydrides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2015-03-31 US disclosed
US-8993710-B1 Polyimides derived from novel asymmetric benzophenone dianhydrides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2015-03-31 US disclosed
US-8809451-B2 Fluorinated dicarboxylic acid derivative and polymer obtained therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2014-08-19 US disclosed
US-8093348-B1 Polyimides derived from novel asymmetric dianhydrides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2012-01-10 US disclosed
US-8093348-B1 Polyimides derived from novel asymmetric dianhydrides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2012-01-10 US disclosed
US-8093348-B1 Polyimides derived from novel asymmetric dianhydrides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2012-01-10 US disclosed
US-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2011-12-08 US disclosed
WO-2010095678-A1 FLUORINATED DICARBOXYLIC ACID DERIVATIVE AND POLYMER OBTAINED THEREFROM セントラル硝子株式会社 (JP) 2010-08-26 WO disclosed
US-7381849-B1 Synthesis of asymmetric tetracarboxylic acids and dianhydrides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2008-06-03 US disclosed
US-7381849-B1 Synthesis of asymmetric tetracarboxylic acids and dianhydrides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2008-06-03 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-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom MCCC2, AFF2, F13A1 ATM 3040/4885TRPA1 176/4885AR 4258/4885

“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.