SCHEMBL719264

SCHEMBL719264

COc1ccc(C[C@@H](C)N(Cc2ccccc2)C[C@H](O)c2ccc(OCc3ccccc3)c(N)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
MAOB P27338 3/20 0.40
BCHE P06276 2/20 0.40
AOC3 Q16853 2/20 0.39
ABCB1 P08183 1/20 0.39
MAOA P21397 1/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
EPOR P19235 1/20 0.38
LTA4H P09960 1/20 0.37

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
SCHEMBL28019387 1.00 ALDH1A1 (0.41) ALDH1A1MAOBBCHEAOC3ABCB1
SCHEMBL719263 1.00 ALDH1A1 (0.41) ALDH1A1MAOBBCHEAOC3ABCB1
SCHEMBL11810281 0.91 OPRK1 (0.41) ALDH1A1MAOBBCHEMAOATRPM8
Hydrochloric Acid SCHEMBL11818993 0.90 OPRD1 (0.40) ALDH1A1MAOBBCHEMAOATRPM8
SCHEMBL11820982 0.90 SLC1A5 (0.39) ALDH1A1MAOBBCHEMAOAPOLB
SCHEMBL7245309 0.90 OPRD1 (0.39) ALDH1A1MAOBAOC3ABCB1TSHR
SCHEMBL7245302 0.90 OPRD1 (0.39) ALDH1A1MAOBAOC3ABCB1TSHR
SCHEMBL3799821 0.90 ALDH1A1 (0.40) ALDH1A1MAOBBCHEAOC3ABCB1
SCHEMBL16503716 0.90 ALDH1A1 (0.39) ALDH1A1MAOBAOC3TSHRNPC1
SCHEMBL11181213 0.89 ABCB1 (0.42) ALDH1A1MAOBBCHEABCB1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104655786-B Method for separating and measuring formoterol intermediate related substances by liquid chromatography 北京万全德众医药生物技术有限公司 2020-06-23 CN disclosed
CN-104655786-A Method for measuring substances related to formoterol intermediate by separation of liquid chromatography BEIJING VENTUREPHARM BIOTECH CORP 2015-05-27 CN disclosed
CN-104655786-A Method for measuring substances related to formoterol intermediate by separation of liquid chromatography BEIJING VENTUREPHARM BIOTECH CORP 2015-05-27 CN disclosed
US-20120053246-A1 PURIFICATION PROCESS FOR PREPARING HIGHLY PURE ARFORMOTEROL TARTRATE SUBSTANTIALLY FREE OF DESFORMYL IMPURITY ACTAVIS GROUP PTC EHF (IS) 2012-03-01 US disclosed
US-20110313199-A1 PROCESSES FOR PREPARING SUBSTANTIALLY PURE ARFORMOTEROL AND ITS INTERMEDIATES ACTAVIS GROUP PTC EHF (IS) 2011-12-22 US disclosed
US-20110313199-A1 PROCESSES FOR PREPARING SUBSTANTIALLY PURE ARFORMOTEROL AND ITS INTERMEDIATES ACTAVIS GROUP PTC EHF (IS) 2011-12-22 US disclosed
US-20110313199-A1 PROCESSES FOR PREPARING SUBSTANTIALLY PURE ARFORMOTEROL AND ITS INTERMEDIATES ACTAVIS GROUP PTC EHF (IS) 2011-12-22 US disclosed
WO-2010128355-A2 IMPROVED PROCESSES FOR PREPARING SUBSTANTIALLY PURE ARFORMOTEROL AND ITS INTERMEDIATES ACTAVIS GROUP PTC EHF (IS) 2010-11-11 WO disclosed
WO-2010128355-A2 IMPROVED PROCESSES FOR PREPARING SUBSTANTIALLY PURE ARFORMOTEROL AND ITS INTERMEDIATES ACTAVIS GROUP PTC EHF (IS) 2010-11-11 WO disclosed
JP-2000239237-A CRYSTAL OF OPTICALLY ACTIVE COMPOUND AND ITS PRODUCTION YAMANOUCHI PHARMACEUT CO LTD 2000-09-05 JP 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 (2 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-20120053246-A1 PURIFICATION PROCESS FOR PREPARING HIGHLY PURE ARFORMOTEROL TARTRATE SUBSTANTIALLY FREE OF DESFORMYL IMPURITY ADRB1, ADRB2, ADRA1A ALDH1A1 1084/4885MAOB 391/4885BCHE 3767/4885
US-20110313199-A1 PROCESSES FOR PREPARING SUBSTANTIALLY PURE ARFORMOTEROL AND ITS INTERMEDIATES ADRB2, ADRA2A, ADRB1 ALDH1A1 1401/4885MAOB 983/4885BCHE 3014/4885

“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.