SCHEMBL2007368

SCHEMBL2007368

CCc1c(C)cccc1C(=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
MYC P01106 1/20 0.41
POLB P06746 2/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
CXCR5 P32302 2/20 0.38
SLC22A12 Q96S37 1/20 0.37
MEN1 O00255 1/20 0.37
AKR1B10 O60218 1/20 0.37
TRPA1 O75762 1/20 0.37
ABCB11 O95342 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
SCHEMBL1549077 0.85 ALDH1A1 (0.57) HPGDKDM4EALDH1A1HSD17B10ERCC5
Hydrochloric Acid SCHEMBL28802432 0.81 ALDH1A1 (0.53) HPGDKDM4EALDH1A1HSD17B10ERCC5
SCHEMBL697398 0.81 BRPF1 (0.43) HPGDKDM4EALDH1A1HSD17B10ERCC5
SCHEMBL5443177 0.80 AKR1B1 (0.48) HPGDALDH1A1ERCC5FEN1POLB
SCHEMBL2006362 0.80 ALDH1A1 (0.40) HPGDALDH1A1POLBCYP2C19KMT2A
SCHEMBL1660584 0.79 PARP1 (0.46) HPGDKDM4EALDH1A1HSD17B10MYC
SCHEMBL11239143 0.79 AKR1C3 (0.48) HPGDKDM4EALDH1A1HSD17B10MYC
SCHEMBL778105 0.78 TSHR (0.41) HPGDKDM4EALDH1A1HSD17B10ERCC5
SCHEMBL2007845 0.77 CA12 (0.46) HPGDALDH1A1POLBKMT2ALMNA
SCHEMBL18759137 0.77 SMN1; SMN2 (0.54) HPGDKMT2ATSHRMAPK1CXCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101075-A2 Derivatives of 4-(2-Amino-1-Hydroxyethyl) Phenol as Agonists of the Beta2 Adrenergic Receptor LABORATORIOS ALMIRALL, S.A. (ES) 2012-04-26 US disclosed
EP-1885684-B9 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA-2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2012-04-25 EP disclosed
US-20110251166-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR PUIG DURAN CARLOS 2011-10-13 US disclosed
US-20110251165-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ALMIRALL, S.A. 2011-10-13 US disclosed
EP-1885684-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA-2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2011-07-13 EP disclosed
US-7964615-B2 Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the β2 adrenergic receptor ALMIRALL, S.A. (ES) 2011-06-21 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 (3 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-20110251166-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRA2C, ADRB1 HPGD 1160/4885KDM4E 1549/4885ALDH1A1 2569/4885
US-20110251165-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRA2C, ADRB3 HPGD 1063/4885KDM4E 1832/4885ALDH1A1 2486/4885
US-20120101075-A2 Derivatives of 4-(2-Amino-1-Hydroxyethyl) Phenol as Agonists of the Beta2 Adrenergic Receptor ADRB2, ADRB1, ADRA2C HPGD 489/4885KDM4E 2018/4885ALDH1A1 403/4885

“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.