SCHEMBL13024552

SCHEMBL13024552

N#Cc1ccc(-c2ccc(OC(=O)C3CCC(I)CC3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.50
▸ HTT P42858 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.46
▸ ELANE P08246 2/20 0.44
▸ MMP2 P08253 4/20 0.43
▸ MMP3 P08254 4/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ PAX8 Q06710 2/20 0.41
▸ UBE2N P61088 1/20 0.40
▸ HRH2 P25021 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL13021628 0.96 POLB (0.53) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL28237429 0.88 KMT2A (0.61) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL5467762 0.86 POLB (0.53) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL9194350 0.86 KMT2A (0.60) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL13198393 0.84 MAPT (0.56) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL12736709 0.83 POLB (0.48) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL7941975 0.83 POLB (0.50) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL91806 0.83 POLB (0.50) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL13024551 0.82 KMT2A (0.54) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL14817247 0.82 KMT2A (0.54) POLBHTTKMT2ASMN1; SMN2TDP1

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-20100304148-A1 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, and polymer thereof CHISSO CORPORATION 2010-12-02 — — 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-20100304148-A1 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, and polymer thereof SSB, CNKSR1, RCC1 POLB 2115/4885HTT 2665/4885KMT2A 1974/4885

“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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