SCHEMBL2749026

SCHEMBL2749026

O=C(O)NCCc1ccc(OCCCC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.63
P2RX7 Q99572 1/20 0.51
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TAAR1 Q96RJ0 1/20 0.44
RECQL P46063 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44

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
SCHEMBL2749138 0.94 EPHX2 (0.64) EPHX2P2RX7ALDH1A1LMNANPSR1
SCHEMBL2748283 0.86 EPHX2 (0.60) EPHX2P2RX7ALDH1A1LMNANPSR1
SCHEMBL2749670 0.86 EPHX2 (0.53) EPHX2P2RX7TAAR1RECQL
SCHEMBL2747645 0.81 EPHX2 (0.54) EPHX2P2RX7MEN1KMT2ATAAR1
SCHEMBL2748689 0.78 MEN1 (0.50) EPHX2ALDH1A1LMNAMEN1KMT2A
SCHEMBL1758604 0.78 HDAC6 (0.59) EPHX2ALDH1A1LMNAMEN1KMT2A
SCHEMBL4257643 0.77 EPHX2 (1.00) EPHX2P2RX7ALDH1A1LMNANPSR1
SCHEMBL2747433 0.77 EPHX2 (0.46) EPHX2ALDH1A1LMNANPSR1MEN1
SCHEMBL27810470 0.77 EPHX2 (0.45) EPHX2ALDH1A1LMNANPSR1MEN1
SCHEMBL5727784 0.76 KMT2A (0.54) ALDH1A1LMNAMEN1KMT2ATAAR1

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 598/4885P2RX7 643/4885ALDH1A1 497/4885

“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.