SCHEMBL5076516

SCHEMBL5076516

C[C@@H](N)[C@@H](O)c1ccc(O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.64
LMNA P02545 5/20 0.64
HIF1A Q16665 5/20 0.64
ADRA2A P08913 1/20 0.64
ADRA2C P18825 1/20 0.64
ALDH1A1 P00352 1/20 0.61
RECQL P46063 4/20 0.61
TDP1 Q9NUW8 4/20 0.61
MAPT P10636 3/20 0.61
TSHR P16473 2/20 0.61
NFKB1 P19838 2/20 0.61
ALOX15 P16050 1/20 0.61
THPO P40225 1/20 0.61
HSD17B10 Q99714 1/20 0.61
POLB P06746 1/20 0.61
APEX1 P27695 1/20 0.61
MTOR P42345 1/20 0.61
BLM P54132 1/20 0.61
KMT2A Q03164 1/20 0.61
ADRB1 P08588 1/20 0.59

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
SCHEMBL4258203 1.00 KDM4E (0.64) KDM4ELMNAHIF1AADRA2AADRA2C
SCHEMBL14465577 1.00 KDM4E (0.64) KDM4ELMNAHIF1AADRA2AADRA2C
SCHEMBL2252628 1.00 KDM4E (0.64) KDM4ELMNAHIF1AADRA2AADRA2C
SCHEMBL5174891 1.00 KDM4E (0.64) KDM4ELMNAHIF1AADRA2AADRA2C
SCHEMBL1262889 1.00 KDM4E (0.64) KDM4ELMNAHIF1AADRA2AADRA2C
SCHEMBL723104 1.00 KDM4E (0.64) KDM4ELMNAHIF1AADRA2AADRA2C
Hydrochloric Acid SCHEMBL5082770 0.98 ALDH1A1 (0.65) KDM4ELMNAHIF1AADRA2AADRA2C
Hydrochloric Acid SCHEMBL1168030 0.98 ALDH1A1 (0.65) KDM4ELMNAHIF1AADRA2AADRA2C
Hydrochloric Acid SCHEMBL5082784 0.98 ALDH1A1 (0.65) KDM4ELMNAHIF1AADRA2AADRA2C
Hydrochloric Acid SCHEMBL7327569 0.98 ALDH1A1 (0.65) KDM4ELMNAHIF1AADRA2AADRA2C

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
CN-110105346-B Optionally substituted quinoline compounds 卫材R&D管理有限公司 2023-03-10 CN disclosed
EP-3626717-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2020-03-25 EP disclosed
US-RE47193-E1 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-01-08 US disclosed
US-20180354939-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-12-13 US disclosed
US-10087174-B2 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-10-02 US disclosed
US-20180030045-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-02-01 US disclosed
US-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-11-10 US disclosed
US-9428495-B2 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-08-30 US disclosed
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-16 US disclosed
US-7408084-B2 Process for producing optically active β-amino alcohol KANEKA CORPORATION (JP) 2008-08-05 US 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-10087174-B2 Selectively substituted quinoline compounds SSB, TLR7, TLR8 KDM4E 562/4885LMNA 1606/4885HIF1A 3436/4885
US-20180030045-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 KDM4E 562/4885LMNA 1606/4885HIF1A 3436/4885
US-20180354939-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 KDM4E 541/4885LMNA 1330/4885HIF1A 3472/4885
US-20160326161-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 KDM4E 562/4885LMNA 1606/4885HIF1A 3436/4885
US-20150105370-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 KDM4E 562/4885LMNA 1606/4885HIF1A 3436/4885
US-20050277791-A1 Process for producing optically active beta-amino alcohol ADH1A, ALDH7A1, ADH1C KDM4E 1301/4885LMNA 1549/4885HIF1A 3180/4885

“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.