SCHEMBL18074273

SCHEMBL18074273

COCCOc1cc(CC(C)(C)C)cc(OCCOC)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SYK P43405 1/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ CBFB Q13951 2/20 0.32
▸ FGFR2 P21802 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ GGPS1 O95749 1/20 0.31

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
SCHEMBL18070672 0.95 KDM4E (0.37) MEN1KMT2ASYKMAPK1KDM4E
SCHEMBL26257816 0.83 — —
SCHEMBL10224068 0.82 GGPS1 (0.48) SYKMAPK1KDM4EALDH1A1CYP1A2
SCHEMBL856046 0.77 ALDH1A1 (0.52) MAPK1ALDH1A1ESR1CYP19A1
SCHEMBL23903724 0.77 KDM4E (0.47) MEN1KMT2AMAPK1KDM4EALDH1A1
SCHEMBL12733585 0.76 F2R (0.36) MEN1KMT2AMAPK1KDM4ECYP1A2
SCHEMBL5312355 0.76 MAPK1 (0.37) MEN1KMT2AMAPK1KDM4EALDH1A1
SCHEMBL2808413 0.76 MEN1 (0.36) MEN1KMT2AMAPK1KDM4EALDH1A1
SCHEMBL2810509 0.76 CBFB (0.41) MAPK1KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL2497321 0.75 CHRNB2 (0.39) MAPK1CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912876-B2 Blue-excitable water-solvated polymeric dyes BECTON, DICKINSON AND COMPANY (US) 2024-02-27 — — US disclosed
US-20230288428-A1 Ultraviolet Absorbing Polymeric Dyes and Methods for Using the Same BECTON, DICKINSON AND COMPANY 2023-09-14 — — US disclosed
US-11668716-B2 Ultraviolet absorbing polymeric dyes and methods for using the same BECTON, DICKINSON AND COMPANY (US) 2023-06-06 — — US disclosed
US-20170335067-A1 POLYMERIC BODIPY DYES AND METHODS FOR USING THE SAME BECTON, DICKINSON AND COMPANY 2017-11-23 — — US disclosed
US-9719998-B2 Ultraviolet absorbing polymeric dyes and methods for using the same BECTON DICKINSON AND COMPANY (US) 2017-08-01 — — US disclosed
US-20160266131-A1 ULTRAVIOLET ABSORBING POLYMERIC DYES AND METHODS FOR USING THE SAME BECTON, DICKINSON AND COMPANY 2016-09-15 — — US disclosed
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