SCHEMBL21670583

SCHEMBL21670583

CCOc1ccccc1-c1cc(-c2ccc(Nc3ccc(C(C)(C)C)cc3)cc2)cc(-c2ccccc2OCC)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.41
ENPP3 O14638 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
AGPAT2 O15120 4/20 0.40
PDE3A Q14432 1/20 0.40
DHFR P00374 1/20 0.39
PTPRC P08575 1/20 0.39
PDE10A Q9Y233 1/20 0.39
DHODH Q02127 1/20 0.39
FABP3 P05413 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ABL1 P00519 2/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
UGCG Q16739 1/20 0.37
TP53 P04637 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
SCHEMBL30525963 1.00 ENPP1 (0.41) ENPP1ENPP3MEN1KMT2AATM
SCHEMBL30525972 0.89 AGPAT2 (0.48) ENPP1ENPP3MEN1KMT2AATM
SCHEMBL21670536 0.89 AGPAT2 (0.48) ENPP1ENPP3MEN1KMT2AATM
SCHEMBL29048613 0.89 MAPK10 (0.44) ENPP1ENPP3PDE3APTPRCFABP3
SCHEMBL21670579 0.87 ENPP1 (0.42) ENPP1ENPP3PDE3ADHFRPTPRC
SCHEMBL21670556 0.87 ENPP1 (0.42) ENPP1ENPP3PDE3ADHFRPTPRC
SCHEMBL30526013 0.87 ENPP1 (0.42) ENPP1ENPP3PDE3ADHFRPTPRC
SCHEMBL30525971 0.87 ENPP1 (0.42) ENPP1ENPP3PDE3ADHFRPTPRC
SCHEMBL21670546 0.87 ENPP3 (0.55) ENPP1ENPP3MEN1KMT2AATM
SCHEMBL21670531 0.86 KDM4E (0.42) KMT2AAGPAT2KDM4ETP53

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
EP-3608386-B1 REVERSIBLY THERMOCHROMIC COMPOSITION, AND REVERSIBLY THERMOCHROMIC MICROCAPSULE PIGMENT HAVING SAME ENCLOSED THEREIN PILOT INK CO LTD (JP) 2025-02-19 EP disclosed
US-11060018-B2 Reversibly thermochromic composition and reversibly thermochromic microcapsule pigment encapsulating the same THE PILOT INK CO., LTD. (JP) 2021-07-13 US disclosed
US-20200048542-A1 REVERSIBLY THERMOCHROMIC COMPOSITION AND REVERSIBLY THERMOCHROMIC MICROCAPSULE PIGMENT ENCAPSULATING THE SAME THE PILOT INK CO., LTD. (JP) 2020-02-13 US disclosed
EP-3608386-A1 REVERSIBLY THERMOCHROMIC COMPOSITION, AND REVERSIBLY THERMOCHROMIC MICROCAPSULE PIGMENT HAVING SAME ENCLOSED THEREIN The Pilot Ink Co., Ltd (JP) 2020-02-12 EP disclosed