SCHEMBL2747433

SCHEMBL2747433

O=C(O)NCCc1ccc(OCCC2C3CC4CC(C3)CC2C4)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
ACACB O00763 1/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTPN1 P18031 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL2748691 0.86 HPGD (0.46) EPHX2MEN1KMT2ATAAR1ACACB
SCHEMBL2749138 0.78 EPHX2 (0.64) EPHX2MEN1KMT2ATAAR1ALDH1A1
SCHEMBL2749467 0.78 MAOB (0.42) MEN1KMT2ATAAR1ALDH1A1LMNA
SCHEMBL5727784 0.77 KMT2A (0.54) MEN1KMT2ATAAR1ALDH1A1LMNA
SCHEMBL2749026 0.77 EPHX2 (0.63) EPHX2MEN1KMT2ATAAR1ALDH1A1
SCHEMBL2748283 0.75 EPHX2 (0.60) EPHX2MEN1KMT2AALDH1A1LMNA
SCHEMBL23928126 0.74 TAAR1 (0.55) MEN1KMT2ATAAR1ALDH1A1LMNA
SCHEMBL17935564 0.74 NPC1 (0.68) MEN1KMT2ATAAR1ALDH1A1LMNA
SCHEMBL23928192 0.74 KMT2A (0.54) MEN1KMT2ATAAR1ALDH1A1LMNA
SCHEMBL4265734 0.74 EPHX2 (0.67) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178679-B2 Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the β2 adrenergic receptors ALMIRALL, S.A. (ES) 2012-05-15 US disclosed
US-20100324000-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTORS ALMIRALL, S.A. (ES) 2010-12-23 US disclosed
EP-2212276-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR Almirall, S.A. (ES) 2010-08-04 EP disclosed
WO-2009068177-A1 DERIVATIVES OF 4-(2-AMINO-1 -HYDROXYETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR ALMIRALL, S.A. (ES) 2009-06-04 WO 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 (1 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-20100324000-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTORS ADRB2, ADRB1, ADRA2C EPHX2 598/4885MEN1 4802/4885KMT2A 2330/4885

“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.