SCHEMBL5104795

SCHEMBL5104795

COc1ccc2c(O[C@@H]3C[C@H](NC(C)=O)[C@H](C(=O)O)C3)cc(-c3ccccc3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ TACR3 P29371 8/20 0.50
▸ PLA2G2A P14555 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ KLK7 P49862 1/20 0.44
▸ CTSB P07858 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MTNR1A P48039 2/20 0.41
▸ MTNR1B P49286 2/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ MITF O75030 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PAX8 Q06710 1/20 0.40

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
SCHEMBL5107752 1.00 KDM4E (0.53) KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A
SCHEMBL13223061 1.00 KDM4E (0.53) KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A
SCHEMBL1013614 0.89 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A
SCHEMBL1069117 0.89 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A
SCHEMBL1013638 0.89 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A
SCHEMBL5111300 0.85 KDM4E (0.57) KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A
SCHEMBL5111530 0.85 KDM4E (0.57) KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A
SCHEMBL13223060 0.84 KDM4E (0.53) KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A
SCHEMBL1014533 0.83 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A
SCHEMBL14076822 0.83 KDM4E (0.54) KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A

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-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 — — 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-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 KDM4E 4021/4885SMN1; SMN2 877/4885ALDH1A1 135/4885

“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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