SCHEMBL851238

SCHEMBL851238

C[C@H](N)[C@H](O)c1ccc2ccccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.66
KDM4E B2RXH2 5/20 0.59
LMNA P02545 3/20 0.59
HIF1A Q16665 3/20 0.59
ADRA2A P08913 1/20 0.59
ADRA2C P18825 1/20 0.59
ALDH1A1 P00352 1/20 0.57
RECQL P46063 4/20 0.56
TDP1 Q9NUW8 4/20 0.56
MAPT P10636 3/20 0.56
KMT2A Q03164 3/20 0.56
TSHR P16473 2/20 0.56
ALOX15 P16050 1/20 0.56
NFKB1 P19838 1/20 0.56
THPO P40225 1/20 0.56
HSD17B10 Q99714 1/20 0.56
POLB P06746 1/20 0.56
APEX1 P27695 1/20 0.56
MTOR P42345 1/20 0.56
BLM P54132 1/20 0.56

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
SCHEMBL5051552 1.00 UGT2B7 (0.66) UGT2B7KDM4ELMNAHIF1AADRA2A
SCHEMBL5032107 1.00 UGT2B7 (0.66) UGT2B7KDM4ELMNAHIF1AADRA2A
Hydrochloric Acid SCHEMBL836425 0.98 UGT2B7 (0.63) UGT2B7KDM4ELMNAHIF1AADRA2A
SCHEMBL3151796 0.86 UGT2B7 (0.73) UGT2B7HIF1AKMT2ATSHRAOC3
SCHEMBL21444581 0.80 UGT2B7 (0.59) UGT2B7HIF1AADRA2AADRA2CKMT2A
SCHEMBL15541428 0.80 UGT2B7 (0.59) UGT2B7HIF1AADRA2AADRA2CKMT2A
SCHEMBL25434816 0.79 UGT2B7 (0.63) UGT2B7HIF1AADRA2AADRA2CKMT2A
SCHEMBL307143 0.79 UGT2B7 (0.63) UGT2B7HIF1AADRA2AADRA2CKMT2A
SCHEMBL14019306 0.79 UGT2B7 (0.63) UGT2B7HIF1AADRA2AADRA2CKMT2A
SCHEMBL38429 0.79 UGT2B7 (0.63) UGT2B7HIF1AADRA2AADRA2CKMT2A

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 12 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

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 UGT2B7 8/4885KDM4E 2848/4885LMNA 1618/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 UGT2B7 8/4885KDM4E 2848/4885LMNA 1618/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 UGT2B7 8/4885KDM4E 2848/4885LMNA 1618/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 UGT2B7 8/4885KDM4E 2848/4885LMNA 1618/4885

“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.