SCHEMBL14717641

SCHEMBL14717641

CC(C)(C)N(C(=O)O)C(C=O)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.42
CYP1A2 P05177 1/20 0.41
CPA3 P15088 1/20 0.40
FOLH1 Q04609 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
RIPK1 Q13546 2/20 0.39
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39

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
SCHEMBL1000812 1.00 MEN1 (0.48) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL5474507 1.00 MEN1 (0.48) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL18641594 0.88 TP53 (0.36) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL15521836 0.86 HPGD (0.41) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL15521834 0.86 HPGD (0.41) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL9101145 0.85 KMT2A (0.52) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL12491349 0.82 HPGD (0.38) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL15521892 0.82 HPGD (0.38) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL15521891 0.82 HPGD (0.38) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL14717529 0.80 CTSL (0.38) MEN1KMT2AHTTL3MBTL1LMNA

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-8940722-B2 Compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORγ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune disease PHENEX PHARMACEUTICALS AG (DE) 2015-01-27 US disclosed
US-20130053380-A1 Novel compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORgamma, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune disease PHENEX PHARMACEUTICALS AG (DE) 2013-02-28 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-20130053380-A1 Novel compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORgamma, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune disease RORB, RORC, RORA MEN1 4738/4885KMT2A 2548/4885HTT 4593/4885

“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.