SCHEMBL851370

SCHEMBL851370

COc1ccc([C@@H](O)[C@H](C)N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
LMNA P02545 3/20 0.57
ADRA2A P08913 2/20 0.57
HIF1A Q16665 2/20 0.57
ADRA2C P18825 1/20 0.57
CYP2D6 P10635 2/20 0.56
ADRA1A P35348 1/20 0.56
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 3/20 0.54
BLM P54132 2/20 0.54
MEN1 O00255 2/20 0.54
MAPK1 P28482 1/20 0.54
RECQL P46063 4/20 0.50
TDP1 Q9NUW8 4/20 0.50
MAPT P10636 3/20 0.50
AOC3 Q16853 2/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
THPO P40225 1/20 0.50

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
SCHEMBL11419589 1.00 KDM4E (0.57) KDM4ELMNAADRA2AHIF1AADRA2C
SCHEMBL18082658 1.00 KDM4E (0.57) KDM4ELMNAADRA2AHIF1AADRA2C
SCHEMBL5484871 1.00 KDM4E (0.57) KDM4ELMNAADRA2AHIF1AADRA2C
Hydrochloric Acid SCHEMBL6192973 0.98 ALDH1A1 (0.59) KDM4ELMNAADRA2AHIF1AADRA2C
Hydrochloric Acid SCHEMBL836918 0.98 ALDH1A1 (0.59) KDM4ELMNAADRA2AHIF1AADRA2C
SCHEMBL3695690 0.84 CA1 (0.58) CYP2D6ALDH1A1MAPK1TDP1AOC3
SCHEMBL11938486 0.84 CA1 (0.58) CYP2D6ALDH1A1MAPK1TDP1AOC3
SCHEMBL19728209 0.84 CA1 (0.58) CYP2D6ALDH1A1MAPK1TDP1AOC3
SCHEMBL11938484 0.84 CA1 (0.58) CYP2D6ALDH1A1MAPK1TDP1AOC3
SCHEMBL19728201 0.84 CA1 (0.58) CYP2D6ALDH1A1MAPK1TDP1AOC3

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 16 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
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 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
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
EP-0603414-B1 (-)-RITODRINE MEIJI SEIKA CO (JP) 1997-02-12 EP disclosed
US-5449694-A Muscle relaxants for threatened premature birth and abortion; dysmenorrhea MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-09-12 US disclosed
EP-0603414-A1 (-)-RITODRINE MEIJI SEIKA KABUSHIKI KAISHA (JP) 1994-06-29 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 (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 KDM4E 2848/4885LMNA 1618/4885ADRA2A 381/4885
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-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.