SCHEMBL10108763

SCHEMBL10108763

COC(C)(C)CC(C)(C)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL14162078 0.77 GRIN2D (0.34) TSHR
SCHEMBL6161894 0.73 GRIN2D (0.33) ALDH1A1TSHRMEN1KMT2A
SCHEMBL14470623 0.73 GRIN2D (0.33) TSHRMEN1KMT2A
SCHEMBL28206894 0.73 KMT2A (0.34) TSHRMEN1KMT2A
SCHEMBL1930694 0.71 GRIN2D (0.32) TSHRMEN1KMT2A
SCHEMBL21362815 0.71 ALDH1A1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL19065026 0.70 GRIN2D (0.35) ALDH1A1TSHR
SCHEMBL11676267 0.70 GRIN2D (0.36) MEN1KMT2A
Ammonia Solution, Strong SCHEMBL28147128 0.68 GRIN2D (0.34) MEN1KMT2A
SCHEMBL1697212 0.67 GRIN2D (0.36) TSHR

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 2 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

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 ALDH1A1 497/4885TSHR 314/4885TDP1 3326/4885

“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.