SCHEMBL11965041

SCHEMBL11965041

c1cc(-c2ccc(-c3nnc(-c4ccc(-c5ccncc5)cc4)o3)cc2)ccn1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.90
▸ TP53 P04637 1/20 0.90
▸ NPC1 O15118 9/20 0.75
▸ RAB9A P51151 9/20 0.75
▸ ATAD2 Q6PL18 2/20 0.75
▸ KDM4E B2RXH2 6/20 0.71
▸ USP2 O75604 1/20 0.71
▸ CA1 P00915 1/20 0.63
▸ CA2 P00918 1/20 0.63
▸ ALDH1A1 P00352 5/20 0.61
▸ HSD17B10 Q99714 5/20 0.61
▸ HPGD P15428 4/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.61
▸ CYP2C19 P33261 3/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ CYP1A2 P05177 2/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61

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
SCHEMBL9612006 1.00 PKM (0.90) PKMTP53NPC1RAB9AATAD2
SCHEMBL4883712 0.95 PKM (1.00) PKMTP53NPC1RAB9AATAD2
SCHEMBL4876686 0.87 NPC1 (0.79) PKMTP53NPC1RAB9AATAD2
SCHEMBL4883972 0.87 TP53 (0.75) PKMTP53NPC1RAB9AATAD2
SCHEMBL714484 0.86 NPC1 (1.00) PKMTP53NPC1RAB9AATAD2
SCHEMBL13612274 0.85 TP53 (0.65) PKMTP53NPC1RAB9AATAD2
SCHEMBL2159951 0.84 NPC1 (0.74) PKMTP53NPC1RAB9AATAD2
SCHEMBL2766462 0.81 PKM (0.74) PKMTP53NPC1RAB9AATAD2
SCHEMBL9610052 0.81 TP53 (0.65) PKMTP53NPC1RAB9AATAD2
SCHEMBL17206750 0.81 TP53 (0.65) PKMTP53NPC1RAB9AATAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120194894-A1 ELECTROCHROMIC COMPOUND, ELECTROCHROMIC COMPOSITION, AND DISPLAY ELEMENT RICOH COMPANY, LTD. (JP) 2012-08-02 — — 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-20120194894-A1 ELECTROCHROMIC COMPOUND, ELECTROCHROMIC COMPOSITION, AND DISPLAY ELEMENT EED, EPX, ETV6 PKM 4029/4885TP53 2712/4885NPC1 4528/4885

“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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