SCHEMBL13021629

SCHEMBL13021629

O=C(Oc1ccc(O)cc1)C1CCC(I)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.59
▸ HTT P42858 2/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ ELANE P08246 2/20 0.53
▸ MAPT P10636 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ POLB P06746 2/20 0.46
▸ GAA P10253 2/20 0.45
▸ P4HB P07237 1/20 0.45
▸ HPGD P15428 4/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ F2 P00734 1/20 0.43
▸ XBP1 P17861 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ MIF P14174 2/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ PDGFRA P16234 1/20 0.38

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
SCHEMBL13024551 0.95 KMT2A (0.54) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL20045190 0.91 KMT2A (0.70) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL4544901 0.91 KMT2A (0.70) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL19000887 0.91 KMT2A (0.70) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL27694951 0.91 KMT2A (0.70) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL18434571 0.84 HTT (0.61) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL14817252 0.84 KMT2A (0.61) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL9422496 0.84 HTT (0.61) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL11823665 0.83 KMT2A (0.83) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL13460914 0.83 KMT2A (0.59) KMT2AHTTSMN1; SMN2TDP1ELANE

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 KMT2A 1974/4885HTT 2665/4885SMN1; SMN2 1462/4885

“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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