SCHEMBL17761641

SCHEMBL17761641

CC1(COC(=O)ON2C(=O)c3ccccc3C2=O)COC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 4/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
GAA P10253 2/20 0.35
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 1/20 0.34
ACACB O00763 1/20 0.33

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
SCHEMBL17761664 0.81 ALDH1A1 (0.32) ALDH1A1CYP1A2CYP2C9GAAKMT2A
SCHEMBL31126626 0.80 GAA (0.47) ALDH1A1CYP1A2CYP2C9GAAKMT2A
SCHEMBL31024260 0.76 ALDH1A1 (0.38) L3MBTL1ALDH1A1CYP1A2CYP2C9GAA
SCHEMBL12471113 0.75 L3MBTL1 (0.48) L3MBTL1ALDH1A1CYP1A2CYP2C9GAA
SCHEMBL7307659 0.75 L3MBTL1 (0.40) L3MBTL1ALDH1A1GAAKMT2AMAPT
SCHEMBL14193248 0.73 ALDH1A1 (0.59) ALDH1A1CYP1A2CYP2C9GAALMNA
SCHEMBL12987206 0.73 EPHX1 (0.46) ALDH1A1ACACB
SCHEMBL2177419 0.73 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9GAAKMT2A
SCHEMBL16668256 0.72 GAA (0.41) ALDH1A1CYP1A2CYP2C9GAAKMT2A
SCHEMBL29212757 0.71 ELANE (0.50) L3MBTL1ALDH1A1GAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-10 US disclosed
US-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-10 US disclosed
WO-2016077724-A1 (2-AMINO-4(ARYLAMINO)PHENYL) CARBAMATES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-05-19 WO 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-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES HRH4, H1-10, HDAC10 L3MBTL1 1531/4885ALDH1A1 2275/4885CYP1A2 1003/4885

“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.