SCHEMBL21670511

SCHEMBL21670511

CCCCCOc1ccc(-c2cc(-c3ccc(-c4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)cc3)cc(-c3ccc(OCCCCC)cc3OCCCCC)n2)c(OCCCCC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.40
▸ PTPN11 Q06124 3/20 0.40
▸ ATP4A P20648 2/20 0.40
▸ ATP4B P51164 2/20 0.40
▸ GCGR P47871 2/20 0.40
▸ CYP2D6 P10635 2/20 0.38
▸ LTB4R Q15722 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ THRA P10827 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ RARB P10826 3/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ MAPK13 O15264 1/20 0.36
▸ MAPK12 P53778 1/20 0.36
▸ MAPK11 Q15759 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36

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
SCHEMBL21670543 1.00 HRH3 (0.40) HRH3PTPN11ATP4AATP4BGCGR
SCHEMBL30526022 1.00 HRH3 (0.40) HRH3PTPN11ATP4AATP4BGCGR
SCHEMBL30525981 1.00 HRH3 (0.40) HRH3PTPN11ATP4AATP4BGCGR
SCHEMBL30526011 0.99 PTPN11 (0.42) HRH3PTPN11ATP4AATP4BGCGR
SCHEMBL21670535 0.99 PTPN11 (0.42) HRH3PTPN11ATP4AATP4BGCGR
SCHEMBL30526026 0.99 PTPN11 (0.42) HRH3PTPN11ATP4AATP4BGCGR
SCHEMBL21670591 0.99 PTPN11 (0.42) HRH3PTPN11ATP4AATP4BGCGR
SCHEMBL21670525 0.98 ATP4A (0.41) HRH3PTPN11ATP4AATP4BGCGR
SCHEMBL21670510 0.98 ATP4A (0.41) HRH3PTPN11ATP4AATP4BGCGR
SCHEMBL30526016 0.98 ATP4A (0.41) HRH3PTPN11ATP4AATP4BGCGR

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 5 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
CN-110446770-B Reversible thermochromic composition and reversible thermochromic microcapsule pigment containing the same 百乐墨水株式会社 2023-08-08 — — CN 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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