SCHEMBL10022813

SCHEMBL10022813

Cc1cccc(-c2ccc3c(c2)C(=O)C(C)C3=O)c1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.39
▸ EDNRB P24530 1/20 0.38
▸ EDNRA P25101 1/20 0.38
▸ PTPRC P08575 3/20 0.36
▸ PTPN1 P18031 2/20 0.36
▸ CTSA P10619 1/20 0.35
▸ DRD2 P14416 1/20 0.34
▸ GRM2 Q14416 3/20 0.34
▸ BRD4 O60885 3/20 0.34
▸ CREBBP Q92793 3/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ GRIA1 P42261 1/20 0.33
▸ CACNG8 Q8WXS5 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ MCL1 Q07820 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
SCHEMBL14077459 0.80 PTPRC (0.38) ACHEEDNRBEDNRAPTPRCPTPN1
SCHEMBL10885232 0.78 ELANE (0.53) EDNRBEDNRAPTPRCPTPN1MEN1
SCHEMBL308855 0.77 ALOX15 (0.43) EDNRBEDNRAPTPRCPTPN1GRM2
SCHEMBL29542564 0.74 ALDH1A1 (0.47) MEN1ALDH1A1POLBKMT2A
SCHEMBL14077441 0.74 ALDH1A1 (0.47) MEN1ALDH1A1POLBKMT2A
SCHEMBL14077431 0.74 ACHE (0.33) ACHEALDH1A1CD274
SCHEMBL3692592 0.72 TRPA1 (0.46) ACHEALDH1A1CD274
SCHEMBL10022814 0.72 ALDH1A1 (0.40) ALDH1A1POLB
SCHEMBL308889 0.71 HTR7 (0.44) ACHECTSADRD2BRD4CREBBP
SCHEMBL31110225 0.70 TRPA1 (0.44) ACHEGRM2ALDH1A1CD274

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 4 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-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-7425650-B1 Synthesis of asymmetric tetracarboxylic acids and corresponding dianhydrides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2008-09-16 — — 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
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