SCHEMBL3116019

SCHEMBL3116019

CC(C)c1ccccc1O[C]=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
P2RX3 P56373 1/20 0.39
P2RX2 Q9UBL9 1/20 0.39
CYP1A2 P05177 3/20 0.38
NISCH Q9Y2I1 2/20 0.38
CYP2C19 P33261 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 1/20 0.38
RECQL P46063 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
LMNA P02545 3/20 0.37
LPAR1 Q92633 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 2/20 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
SCHEMBL8611165 0.81 TSHR (0.48) KMT2ANISCHL3MBTL1LMNAALDH1A1
SCHEMBL3244705 0.79
SCHEMBL9281903 0.78 GABRA1 (0.39) GABRA1GABRB2KMT2AMEN1P2RX3
SCHEMBL16335930 0.77 GABRA1 (0.43) GABRA1GABRB2CYP1A2CYP3A4LMNA
SCHEMBL6571065 0.77 CA1 (0.38) KMT2AADRA2BLMNAALDH1A1TSHR
SCHEMBL3635472 0.75 ALDH1A1 (0.49) KMT2AMEN1CYP1A2NISCHCYP2C19
SCHEMBL4575432 0.75 P2RX3 (0.58) GABRA1GABRB2KMT2AMEN1P2RX3
SCHEMBL31257131 0.75 CA1 (0.60) GABRA1GABRB2KMT2AMEN1P2RX3
SCHEMBL141647 0.75 CA1 (0.60) GABRA1GABRB2KMT2AMEN1P2RX3
SCHEMBL29959656 0.75 P2RX3 (0.58) GABRA1GABRB2KMT2AMEN1P2RX3

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5234930-A Treating psychological, cardiovascular, urogenital and respiratory disorders; diabetes, asthmas, sudden infant death syndrome FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-10 US claimed
EP-2160396-B1 THIOCARBON-PROTECTING GROUPS FOR RNA SYNTHESIS AGILENT TECHNOLOGIES INC (US) 2018-11-21 EP disclosed
EP-2476689-B1 Thiocarbon-protecting groups for RNA synthesis AGILENT TECHNOLOGIES INC (US) 2015-10-21 EP disclosed
EP-1556389-B9 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-09-09 EP disclosed
US-9067961-B2 Thiocarbon-protecting groups for RNA synthesis AGILENT TECHNOLOGIES, INC. (US) 2015-06-30 US disclosed
EP-1556389-B3 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-04-01 EP disclosed
US-20120238737-A1 THIOCARBON-PROTECTING GROUPS FOR RNA SYNTHESIS AGILENT TECHNOLOGIES, INC. (US) 2012-09-20 US disclosed
EP-2476689-A1 Thiocarbon-protecting groups for RNA synthesis Agilent Technologies, Inc. (US) 2012-07-18 EP disclosed
US-8202983-B2 Thiocarbon-protecting groups for RNA synthesis AGILENT TECHNOLOGIES, INC. (US) 2012-06-19 US disclosed
EP-1663245-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2010-04-07 EP disclosed
US-6060586-A Ureins derived from alpha, omega-diamono acids and process for their preparation SOLVAY (SOCIETE ANONYME) (BE) 2000-05-09 US disclosed
EP-0925299-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-30 EP disclosed
US-5773530-A USEFUL AS PSYCHOSTIMULANTS, ANTIHYPERTENSIVE AGENTS AND REMEDIES FOR RENAL FAILURE, DIURETICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-30 US disclosed
WO-1998003507-A1 PYRAZOLOPYRIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-29 WO disclosed
WO-1997041128-A1 3-PYRAZOLIOMETHYLCEPHEM COMPOUNDS AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-06 WO disclosed
EP-0737193-A1 PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-16 EP disclosed
US-5506362-A Process for the preparation of an α-amino acid amide SOLVAY (SOCIETE ANONYME) (BE) 1996-04-09 US disclosed
WO-1995018128-A1 PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-06 WO disclosed
US-5234930-A Treating psychological, cardiovascular, urogenital and respiratory disorders; diabetes, asthmas, sudden infant death syndrome FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-10 US disclosed
EP-0516941-A1 Pyrazolopyridine compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-12-09 EP 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-20120238737-A1 THIOCARBON-PROTECTING GROUPS FOR RNA SYNTHESIS NSUN3, NSUN2, TRDMT1 GABRA1 4599/4885GABRB2 3817/4885KMT2A 1956/4885

“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.