SCHEMBL6478699

SCHEMBL6478699

CC(C)(C)OC(=O)NC(CO)Cc1ccc(Oc2ccc(C=O)cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 1/20 0.44
ACACB O00763 11/20 0.40
ACACA Q13085 5/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
PCNA P12004 1/20 0.39
POLB P06746 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37
HDAC8 Q9BY41 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
SCHEMBL6478695 1.00 KDM4E (0.48) KDM4EALDH1A1L3MBTL1ATMACACB
SCHEMBL6488460 0.86 GRN (0.46) ATMACACBITGB3ITGA2BPCNA
SCHEMBL6488465 0.86 GRN (0.46) ATMACACBITGB3ITGA2BPCNA
SCHEMBL6478754 0.85 LMNA (0.47) ATMACACBACACAITGB3ITGA2B
SCHEMBL6478751 0.85 LMNA (0.47) ATMACACBACACAITGB3ITGA2B
SCHEMBL6492386 0.82 KMT2A (0.46) KDM4EATMITGB3ITGA2BPCNA
SCHEMBL6492391 0.82 KMT2A (0.46) KDM4EATMITGB3ITGA2BPCNA
SCHEMBL6488494 0.79 ATM (0.49) ATMITGB3ITGA2BPCNAHDAC8
SCHEMBL7688482 0.79 ATM (0.49) ATMITGB3ITGA2BPCNAHDAC8
SCHEMBL6479393 0.78 ATM (0.45) ATMITGB3ITGA2BPCNAHDAC8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-10-03 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 (2 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-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB2, ADRB3 KDM4E 3411/4885ALDH1A1 275/4885L3MBTL1 2659/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 KDM4E 3442/4885ALDH1A1 578/4885L3MBTL1 2835/4885

“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.