SCHEMBL6487227

SCHEMBL6487227

CC(=O)c1ccc2c(C3=C(c4c(C)sc5ccccc45)C(F)(F)C(F)(F)C3(F)F)c(C)sc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G10 O15496 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAOB P27338 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYBB P04839 1/20 0.33
▸ APP P05067 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ SNCA P37840 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NOX3 Q9HBY0 1/20 0.33
▸ NOX4 Q9NPH5 1/20 0.33
▸ NOX1 Q9Y5S8 1/20 0.33
▸ CNR1 P21554 1/20 0.32

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
SCHEMBL5688195 0.94 CA2 (0.35) PLA2G10MAPTALDH1A1HPGDL3MBTL1
SCHEMBL7643452 0.91 PLA2G10 (0.39) PLA2G10MAPTALDH1A1HPGDMAOB
SCHEMBL7104988 0.85 CYP1A2 (0.37) PLA2G10MAPTALDH1A1HPGDL3MBTL1
SCHEMBL5087788 0.84 SMN1; SMN2 (0.38) ALDH1A1HPGDL3MBTL1NPC1RAB9A
SCHEMBL7645370 0.83 PLA2G10 (0.33) PLA2G10L3MBTL1
SCHEMBL29492999 0.83 GPR3 (0.39) PLA2G10MAPTALDH1A1HPGDNPC1
SCHEMBL392860 0.83 GPR3 (0.39) PLA2G10MAPTALDH1A1HPGDNPC1
SCHEMBL6850965 0.83 MAOB (0.34) PLA2G10MAOBCNR1CNR2ESR1
SCHEMBL7648773 0.81 PLA2G10 (0.32) PLA2G10MAPTALDH1A1KMT2ATP53
SCHEMBL6498933 0.80 PLA2G10 (0.37) PLA2G10MAPTALDH1A1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846934-B2 Photochromic diarylethene substituted with isoxazole group KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-01-25 — — US disclosed
US-20020188043-A1 Photochromic diarylethene substituted with isoxazole group KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2002-12-12 — — US disclosed
US-6479604-B1 Diarylethene compound, photochromic diarylethene type copolymer and method for the production of the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2002-11-12 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020188043-A1 Photochromic diarylethene substituted with isoxazole group CRY1, NR2E3, DDT PLA2G10 3992/4885MAPT 1442/4885ALDH1A1 2054/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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