SCHEMBL1758641

SCHEMBL1758641

COC(=O)CCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
ALDH1A1 P00352 5/20 0.47
MAPT P10636 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 2/20 0.44
HSD17B10 Q99714 1/20 0.44
CCR6 P51684 1/20 0.44
NPSR1 Q6W5P4 1/20 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
SCHEMBL25285768 0.92 TSHR (0.48) EPHX2MEN1KMT2ACA12CA2
SCHEMBL26696497 0.89 EPHX2 (0.55) EPHX2MEN1KMT2ACA12CA2
SCHEMBL9245622 0.86 EPHX2 (0.58) EPHX2MEN1KMT2ACA12CA2
SCHEMBL15189250 0.81 MEN1 (0.51) EPHX2MEN1KMT2AALDH1A1MAPT
SCHEMBL1758684 0.80 EPHX2 (0.47) EPHX2MEN1KMT2ACA12CA2
SCHEMBL2747445 0.80 ALDH1A1 (0.60) EPHX2ALDH1A1MAPTTSHRHSD17B10
SCHEMBL6879117 0.80 EPHX2 (0.35) EPHX2MEN1KMT2ACA12CA2
SCHEMBL13780945 0.78 MEN1 (0.49) EPHX2MEN1KMT2AALDH1A1MAPT
SCHEMBL9975563 0.77 FAAH (0.50) EPHX2CA12CA2CA7CA9
SCHEMBL7337692 0.77 EPHX2 (0.50) EPHX2MEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4281081-A1 ADENOSINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Brii Biosciences, Inc. (US) 2023-11-29 EP disclosed
CN-116710465-A Adenosine derivatives and pharmaceutical compositions containing the same 腾盛博药生物科技有限公司 2023-09-05 CN disclosed
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
WO-2011058582-A1 HISTONE DEACETYLASE INHIBITORS FOR THE TREATMENT OF FUNGAL INFECTIONS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-05-19 WO 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
CN-101815700-A Derivatives of 4-(2-amino-1 -hydroxyethyl)phenol as agonists of the beta2 adrenergic receptor ALMIRALL LAB 2010-08-25 CN 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.