SCHEMBL837417

SCHEMBL837417

CC[C@H](N)[C@H](O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
LMNA P02545 2/20 0.59
ADRA2A P08913 1/20 0.59
ADRA2C P18825 1/20 0.59
HIF1A Q16665 1/20 0.59
ALDH1A1 P00352 2/20 0.57
AOC3 Q16853 9/20 0.56
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
CHRM2 P08172 1/20 0.45
ADRA1A P35348 1/20 0.45

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
SCHEMBL5172179 1.00 KDM4E (0.59) KDM4ELMNAADRA2AADRA2CHIF1A
SCHEMBL2838848 1.00 KDM4E (0.59) KDM4ELMNAADRA2AADRA2CHIF1A
SCHEMBL12418041 1.00 KDM4E (0.59) KDM4ELMNAADRA2AADRA2CHIF1A
SCHEMBL4272229 1.00 KDM4E (0.59) KDM4ELMNAADRA2AADRA2CHIF1A
SCHEMBL9190252 1.00 KDM4E (0.59) KDM4ELMNAADRA2AADRA2CHIF1A
Hydrochloric Acid SCHEMBL5174621 0.98 ALDH1A1 (0.61) KDM4ELMNAADRA2AADRA2CHIF1A
Hydrochloric Acid SCHEMBL837391 0.98 ALDH1A1 (0.61) KDM4ELMNAADRA2AADRA2CHIF1A
SCHEMBL851371 0.83 AOC3 (0.62) KDM4ELMNAADRA2AADRA2CHIF1A
SCHEMBL8135905 0.83 AOC3 (0.62) KDM4ELMNAADRA2AADRA2CHIF1A
SCHEMBL8028471 0.82 AOC3 (0.49) KDM4ELMNAADRA2AADRA2CHIF1A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167068-A1 BENZOPYRAZOLE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-06-01 US disclosed
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
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-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US 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-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-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-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
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
US-7408084-B2 Process for producing optically active β-amino alcohol KANEKA CORPORATION (JP) 2008-08-05 US disclosed
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
US-20050277791-A1 Process for producing optically active beta-amino alcohol KANEKA CORPORATION (JP) 2005-12-15 US disclosed
EP-1512677-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE s-AMINO ALCOHOL KANEKA CORPORATION (JP) 2005-03-09 EP 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 (6 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 KDM4E 2848/4885LMNA 1618/4885ADRA2A 381/4885
US-20230167068-A1 BENZOPYRAZOLE COMPOUND ABCB1, CYP3A43, CYP3A5 KDM4E 3643/4885LMNA 4605/4885ADRA2A 1185/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 KDM4E 2848/4885LMNA 1618/4885ADRA2A 381/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 KDM4E 2848/4885LMNA 1618/4885ADRA2A 381/4885
US-20050277791-A1 Process for producing optically active beta-amino alcohol ADH1A, ALDH7A1, ADH1C KDM4E 1301/4885LMNA 1549/4885ADRA2A 221/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 KDM4E 2848/4885LMNA 1618/4885ADRA2A 381/4885

“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.