SCHEMBL836053

SCHEMBL836053

CCc1ccc([C@H](O)[C@H](C)N(C(=O)O)C(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 1/20 0.38
NPY5R Q15761 1/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
LMNA P02545 1/20 0.36
ATM Q13315 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL836052 1.00 AKR1C3 (0.39) AKR1C3AKR1C2ALDH1A1GAANPY5R
SCHEMBL7647994 0.83 NPY5R (0.46) ALDH1A1GAANPY5RKDM4ELMNA
SCHEMBL20492448 0.83 ALDH1A1 (0.40) AKR1C3AKR1C2ALDH1A1GAANPY5R
SCHEMBL5065158 0.83 KDM4E (0.55) ALDH1A1GAANPY5RKDM4ELMNA
SCHEMBL14908702 0.83 KDM4E (0.55) ALDH1A1GAANPY5RKDM4ELMNA
SCHEMBL5065151 0.83 KDM4E (0.55) ALDH1A1GAANPY5RKDM4ELMNA
SCHEMBL20492498 0.82 ALOX5 (0.41) ALDH1A1GAANPY5RSMN1; SMN2KDM4E
SCHEMBL14909184 0.82 KDM4E (0.39) ALDH1A1GAAKDM4EKMT2AHTT
SCHEMBL834922 0.79 AKR1C3 (0.43) AKR1C3AKR1C2ALDH1A1KDM4E
SCHEMBL836811 0.79 NPY5R (0.49) AKR1C3AKR1C2NPY5RKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
EP-2102169-B1 INDAZOLYL AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2012-06-20 EP disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 US disclosed
US-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 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-20080214641-A1 Chemical compounds 572 ABCG2, ABCB1, CYP11B2 AKR1C3 1674/4885AKR1C2 1815/4885ALDH1A1 699/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 AKR1C3 1674/4885AKR1C2 1815/4885ALDH1A1 699/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 AKR1C3 1674/4885AKR1C2 1815/4885ALDH1A1 699/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 AKR1C3 1674/4885AKR1C2 1815/4885ALDH1A1 699/4885

“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.