SCHEMBL10257159

SCHEMBL10257159

CC(C)(C)C(=O)N1C(O)C(C)(C)C[C@H]1Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ ABCC4 O15439 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MMP12 P39900 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ RIPK1 Q13546 1/20 0.34
▸ FASN P49327 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34

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
SCHEMBL10251800 0.79 RIPK1 (0.38) KMT2ACYP3A4ALDH1A1KDM4EMEN1
SCHEMBL10252545 0.77 SMN1; SMN2 (0.38) KMT2ACYP3A4ALDH1A1KDM4EMEN1
SCHEMBL597446 0.76 FASN (0.36) CCR5KMT2AKDM4ETSHRSMN1; SMN2
SCHEMBL597445 0.76 FASN (0.36) CCR5KMT2AKDM4ETSHRSMN1; SMN2
SCHEMBL598408 0.74 FASN (0.35) CCR5KMT2AKDM4ETSHRSMN1; SMN2
SCHEMBL4435733 0.74 FASN (0.35) CCR5KMT2AKDM4ETSHRSMN1; SMN2
SCHEMBL1908592 0.74 FASN (0.35) CCR5KMT2AKDM4ETSHRSMN1; SMN2
SCHEMBL597903 0.74 FASN (0.35) CCR5KMT2AKDM4ETSHRSMN1; SMN2
SCHEMBL1909824 0.73 ABHD6 (0.42) ALDH1A1TSHRSMN1; SMN2MAPTABCC4
SCHEMBL18175828 0.72 CYP3A4 (0.36) KMT2ACYP3A4ALDH1A1KDM4ETSHR

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-20120142916-A1 PROCESS FOR PREPARING 5-BIPHENYL-4-AMINO-2-METHYL PENTANOIC ACID NOVARTIS AG (CH) 2012-06-07 — — 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-20120142916-A1 PROCESS FOR PREPARING 5-BIPHENYL-4-AMINO-2-METHYL PENTANOIC ACID MME, REN, PAH CCR5 3372/4885KMT2A 1209/4885CYP3A4 256/4885

“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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