SCHEMBL13435046

SCHEMBL13435046

CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2ccc(C(=O)NCCOCCOCCCCCCCl)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ GSTP1 P09211 1/20 0.53
▸ CYP3A4 P08684 1/20 0.41
▸ NT5E P21589 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ITPR3 Q14573 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ KCNH2 Q12809 3/20 0.36
▸ RAB9A P51151 5/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ TTR P02766 1/20 0.36
▸ RORC P51449 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ TP53 P04637 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
SCHEMBL31343967 0.94 GSTP1 (0.58) KMT2AHTTMEN1USP2ALDH1A1
SCHEMBL12951612 0.88 GSTP1 (0.42) KMT2AHTTMEN1USP2ALDH1A1
SCHEMBL30112575 0.87 NT5E (0.41) KMT2AHTTMEN1USP2ALDH1A1
SCHEMBL24942496 0.87 NT5E (0.41) KMT2AHTTMEN1USP2ALDH1A1
SCHEMBL4403233 0.87 GSTP1 (0.41) KMT2AHTTMEN1USP2ALDH1A1
SCHEMBL25457745 0.84 KMT2A (0.55) KMT2AHTTMEN1USP2ALDH1A1
SCHEMBL4437792 0.84 GSTP1 (0.59) KMT2AHTTMEN1USP2ALDH1A1
SCHEMBL18526322 0.84 NT5E (0.41) KMT2AHTTMEN1USP2ALDH1A1
SCHEMBL18950720 0.83 GSTP1 (0.38) KMT2AHTTMEN1USP2ALDH1A1
SCHEMBL23291866 0.83 NT5E (0.38) KMT2AHTTMEN1USP2ALDH1A1

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-20100075394-A1 Method of Crosslinking Two Objects of Interest ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2010-03-25 — — 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-20100075394-A1 Method of Crosslinking Two Objects of Interest CD2BP2, FYN, ILK KMT2A 3466/4885HTT 3333/4885MEN1 3351/4885

“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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