SCHEMBL4090135

SCHEMBL4090135

NC(=O)c1ccccc1/N=C/c1ccccc1O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.81
AKR1C2 P52895 1/20 0.81
AKR1C1 Q04828 1/20 0.81
HPGD P15428 12/20 0.70
ALDH1A1 P00352 11/20 0.70
LMNA P02545 4/20 0.70
L3MBTL1 Q9Y468 2/20 0.70
HTT P42858 1/20 0.70
CA12 O43570 1/20 0.66
CA2 P00918 1/20 0.66
CA9 Q16790 1/20 0.66
KDM4E B2RXH2 10/20 0.64
MAPT P10636 3/20 0.64
SMN1; SMN2 Q16637 4/20 0.63
RAB9A P51151 4/20 0.63
USP2 O75604 1/20 0.57
GAA P10253 1/20 0.57
HSD17B10 Q99714 4/20 0.56
NPC1 O15118 2/20 0.55
MEN1 O00255 2/20 0.55

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
SCHEMBL7782372 0.90 AKR1C3 (0.71) AKR1C3AKR1C2AKR1C1HPGDALDH1A1
SCHEMBL10090683 0.89 AKR1C3 (1.00) AKR1C3AKR1C2AKR1C1HPGDALDH1A1
SCHEMBL11409315 0.85 HPGD (0.69) AKR1C3AKR1C2AKR1C1HPGDALDH1A1
SCHEMBL10812989 0.85 HPGD (0.69) AKR1C3AKR1C2AKR1C1HPGDALDH1A1
SCHEMBL10090711 0.83 ALDH1A1 (0.68) AKR1C3AKR1C2AKR1C1HPGDALDH1A1
SCHEMBL10090704 0.83 ALDH1A1 (1.00) AKR1C3AKR1C2AKR1C1HPGDALDH1A1
SCHEMBL803089 0.80 CA12 (1.00) AKR1C3AKR1C2AKR1C1HPGDALDH1A1
SCHEMBL30361105 0.80 CA12 (1.00) AKR1C3AKR1C2AKR1C1HPGDALDH1A1
SCHEMBL29359256 0.80 CA12 (1.00) AKR1C3AKR1C2AKR1C1HPGDALDH1A1
SCHEMBL710477 0.80 CA12 (1.00) AKR1C3AKR1C2AKR1C1HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160158390-A1 Methods for Tumor Diagnosis and Therapy PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-06-09 US disclosed
US-20160158390-A1 Methods for Tumor Diagnosis and Therapy PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-06-09 US disclosed
US-9186425-B2 Methods for tumor diagnosis and therapy PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-11-17 US disclosed
US-9186425-B2 Methods for tumor diagnosis and therapy PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-11-17 US disclosed
US-20140178298-A1 METHODS FOR TUMOR DIAGNOSIS AND THERAPY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-26 US disclosed
US-20140178298-A1 METHODS FOR TUMOR DIAGNOSIS AND THERAPY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-26 US disclosed
US-20120213701-A1 METHODS FOR TUMOR DIAGNOSIS AND THERAPY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-08-23 US disclosed
US-8168159-B2 Compounds for tumor diagnosis and therapy PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-01 US disclosed
US-20090285755-A1 METHODS FOR TUMOR DIAGNOSIS AND THERAPY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-11-19 US disclosed
US-7514067-B2 Complexing enzyme with antibody; trapping within tumor PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-04-07 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 (4 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-20120213701-A1 METHODS FOR TUMOR DIAGNOSIS AND THERAPY FOLH1, DNPEP, ENPEP AKR1C3 1121/4885AKR1C2 854/4885AKR1C1 986/4885
US-20090285755-A1 METHODS FOR TUMOR DIAGNOSIS AND THERAPY FOLH1, DNPEP, ENPEP AKR1C3 1121/4885AKR1C2 854/4885AKR1C1 986/4885
US-20140178298-A1 METHODS FOR TUMOR DIAGNOSIS AND THERAPY FOLH1, DNPEP, ENPEP AKR1C3 1121/4885AKR1C2 854/4885AKR1C1 986/4885
US-20160158390-A1 Methods for Tumor Diagnosis and Therapy FOLH1, DNPEP, ENPEP AKR1C3 1121/4885AKR1C2 854/4885AKR1C1 986/4885

“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.