SCHEMBL21670550

SCHEMBL21670550

COc1ccc(-c2cc(-c3ccc(Nc4ccc(C(C)(C)C)cc4)cc3)cc(-c3ccc(OC)cc3OC)n2)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR2 P21802 1/20 0.45
▸ CSNK2A1 P68400 1/20 0.44
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ CYP1A1 P04798 5/20 0.43
▸ CYP1B1 Q16678 5/20 0.43
▸ ADORA3 P0DMS8 4/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2E1 P05181 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40

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
SCHEMBL30525978 1.00 FGFR2 (0.45) FGFR2CSNK2A1AKR1C3AKR1C2CYP1A1
SCHEMBL29048643 0.87 FGFR2 (0.50) FGFR2CSNK2A1AKR1C3AKR1C2CYP1A1
SCHEMBL21670541 0.86 MEN1 (0.52) FGFR2CSNK2A1CYP1A1CYP1B1ADORA3
SCHEMBL30525969 0.86 MEN1 (0.52) FGFR2CSNK2A1CYP1A1CYP1B1ADORA3
SCHEMBL21670508 0.86 CYP1A1 (0.43) CYP1A1CYP1B1ADORA3MEN1KMT2A
SCHEMBL30525980 0.86 CYP1A1 (0.43) CYP1A1CYP1B1ADORA3MEN1KMT2A
SCHEMBL21670531 0.83 KDM4E (0.42) FGFR2KMT2AMAPTNFKB1RAB9A
SCHEMBL30526018 0.83 KDM4E (0.42) FGFR2KMT2AMAPTNFKB1RAB9A
Diphenylamine SCHEMBL8196609 0.83 KMT2A (0.56) CSNK2A1CYP1A1CYP1B1ADORA3MEN1
SCHEMBL12297227 0.79 CSNK2A1 (0.70) CSNK2A1CYP1A1CYP1B1MEN1KMT2A

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
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