SCHEMBL13502329

SCHEMBL13502329

CCCCOc1cc2c3cc(OCCCC)c(C)cc3p(-c3ccccc3)c2cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ WDR5 P61964 3/20 0.40
▸ LTA4H P09960 2/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ RARB P10826 1/20 0.38
▸ ESR1 P03372 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35

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
SCHEMBL12743780 0.94 S1PR5 (0.41) GAATDP1L3MBTL1LTA4HESR1
SCHEMBL13502053 0.94 S1PR5 (0.41) GAATDP1L3MBTL1LTA4HESR1
SCHEMBL12593219 0.92 S1PR5 (0.39) GAATDP1L3MBTL1LTA4HESR1
SCHEMBL13502091 0.91 S1PR5 (0.36) GAATDP1L3MBTL1LTA4HESR1
SCHEMBL13502084 0.82 CYP3A4 (0.37) CYP1A2CYP2C9CYP2C19ESR1MCHR1
SCHEMBL13502289 0.80 PTPN11 (0.40) TDP1L3MBTL1LTA4HTLR8LMNA
SCHEMBL13502089 0.79 NR5A1 (0.40) GAALTA4HLMNAKMT2A
SCHEMBL13502087 0.77 LTA4H (0.43) GAATDP1L3MBTL1CYP2C9LTA4H
SCHEMBL13502051 0.74 LIPG (0.40) GAAKCNH2TLR8KDM4EALDH1A1
SCHEMBL13502077 0.73 LTA4H (0.39) LTA4HTLR8S1PR5KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662478-B2 Polymer and polymer light-emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-16 — — US disclosed
US-20080103278-A1 NEW POLYMER AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED 2008-05-01 — — 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-20080103278-A1 NEW POLYMER AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME CRY1, ARCN1, CORO1A GAA 2007/4885TDP1 1847/4885L3MBTL1 422/4885

“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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