SCHEMBL4055696

SCHEMBL4055696

CCC(C)C(=O)N(CC)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
GLA P06280 1/20 0.61
TSHR P16473 1/20 0.61
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
TP53 P04637 2/20 0.49
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 2/20 0.44
MLYCD O95822 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL4058262 0.86 ALDH1A1 (0.58) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL18765958 0.85 ALDH1A1 (0.66) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL4559946 0.85 HPGD (0.58) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL11931984 0.85 ATM (0.58) ALDH1A1GLATSHRHTTSMN1; SMN2
SCHEMBL13741509 0.85 ATM (0.58) ALDH1A1GLATSHRHTTSMN1; SMN2
SCHEMBL4061019 0.83 ALDH1A1 (0.54) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL1114963 0.83 ALDH1A1 (0.54) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL12679897 0.82 ALDH1A1 (0.53) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL7497334 0.82 ALDH1A1 (0.61) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL11618038 0.82 ALDH1A1 (0.61) ALDH1A1GLATSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3046560-A1 STEM CELL MODULATION II University of Canberra (AU) 2016-07-27 EP disclosed
WO-2015039187-A1 STEM CELL MODULATION II UNIVERSITY OF CANBERRA (AU) 2015-03-26 WO disclosed
US-7550473-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
US-20050124640-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-06-09 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-20050124640-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCQ, PRKCZ, PRKCH ALDH1A1 3943/4885GLA 2333/4885TSHR 1805/4885

“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.