SCHEMBL21523873

SCHEMBL21523873

CCCCCCCCCCCCCCCCCCOc1ccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccc(OCCCCCCCCCCCCCCCCCC)cc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.53
▸ STAT1 P42224 1/20 0.53
▸ HPGD P15428 4/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ XDH P47989 1/20 0.39
▸ CYP2D6 P10635 4/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ CYP19A1 P11511 3/20 0.39
▸ CYP2C9 P11712 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ RARB P10826 3/20 0.38
▸ NR5A1 Q13285 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ HTT P42858 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
Hydrochloric Acid SCHEMBL27856204 0.97 STAT3 (0.50) STAT3STAT1HPGDRAB9ASMN1; SMN2
SCHEMBL585094 0.95 STAT3 (0.48) STAT3STAT1HPGDRAB9ASMN1; SMN2
SCHEMBL15673545 0.92 STAT3 (0.46) STAT3STAT1HPGDRAB9ASMN1; SMN2
SCHEMBL17722680 0.92 STAT3 (0.46) STAT3STAT1HPGDRAB9ASMN1; SMN2
SCHEMBL14038527 0.91 STAT3 (0.51) STAT3STAT1HPGDRAB9ASMN1; SMN2
SCHEMBL29395084 0.91 STAT3 (0.50) STAT3STAT1HPGDRAB9ASMN1; SMN2
SCHEMBL28879055 0.90 STAT3 (0.49) STAT3STAT1HPGDRAB9ASMN1; SMN2
SCHEMBL12230354 0.90 STAT3 (0.46) STAT3STAT1HPGDRAB9ASMN1; SMN2
SCHEMBL12427957 0.90 STAT3 (0.43) STAT3STAT1HPGDRAB9ASMN1; SMN2
SCHEMBL585267 0.90 STAT3 (0.43) STAT3STAT1HPGDRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112041672-B Graphene non-covalent and electrostatic surface modified chemical varactor-based sensor 明尼苏达大学董事会 2024-02-27 — — CN disclosed
US-11867596-B2 Chemical sensors with non-covalent, electrostatic surface modification of graphene REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2024-01-09 — — US disclosed
EP-3785025-B1 CHEMICAL GRAPHENE VARACTOR-BASED SENSORS WITH SUBSTITUTED PORPHYRIN FUNCTIONALIZATION AND CORRESPONDING METHODS UNIV MINNESOTA (US) 2023-09-06 — — EP disclosed
US-20220291198-A1 CHEMICAL SENSORS WITH NON-COVALENT, ELECTROSTATIC SURFACE MODIFICATION OF GRAPHENE REGENTS OF THE UNIVERSITY OF MINNESOTA 2022-09-15 — — US disclosed
US-11293914-B2 Chemical sensors with non-covalent, electrostatic surface modification of graphene BOSTON SCIENTIFIC SCIMED, INC. (US) 2022-04-05 — — US disclosed
EP-3785025-A1 CHEMICAL VARACTOR-BASED SENSORS WITH NON-COVALENT, ELECTROSTATIC SURFACE MODIFICATION OF GRAPHENE Regents of the University of Minnesota (US) 2021-03-03 — — EP disclosed
US-20190331661-A1 CHEMICAL SENSORS WITH NON-COVALENT, ELECTROSTATIC SURFACE MODIFICATION OF GRAPHENE REGENTS OF THE UNIVERSITY OF MINNESOTA 2019-10-31 — — US disclosed
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