SCHEMBL13502289

SCHEMBL13502289

CCCCCCCCOc1cc2c3cc(OCCCCCCCC)c(Br)cc3p(-c3ccccc3)c2cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 3/20 0.40
▸ THRA P10827 2/20 0.39
▸ THRB P10828 2/20 0.39
▸ TLR8 Q9NR97 2/20 0.39
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PTPN1 P18031 1/20 0.37

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
SCHEMBL13502053 0.85 S1PR5 (0.41) PTPN11THRATHRBTLR8MAPT
SCHEMBL12743780 0.85 S1PR5 (0.41) PTPN11THRATHRBTLR8MAPT
SCHEMBL12593219 0.83 S1PR5 (0.39) PTPN11THRATHRBTLR8MAPT
SCHEMBL13502329 0.80 GAA (0.42) TLR8MAPTLMNAKMT2ATDP1
SCHEMBL13502091 0.80 S1PR5 (0.36) TLR8MEN1KMT2ATDP1L3MBTL1
SCHEMBL12485109 0.76 THRA (0.46) PTPN11THRATHRBTLR8MAPT
SCHEMBL12483379 0.76 THRA (0.46) PTPN11THRATHRBTLR8MAPT
SCHEMBL30984506 0.75 THRA (0.45) PTPN11THRATHRBTLR8MAPT
SCHEMBL9011621 0.75 THRA (0.43) THRATHRBTLR8MAPTMEN1
SCHEMBL339836 0.74 THRA (0.49) PTPN11THRATHRBTLR8MAPT

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
US-7662478-B2 Polymer and polymer light-emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-16 — — US disclosed
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
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 PTPN11 4725/4885THRA 1210/4885THRB 2630/4885

“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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