SCHEMBL285231

SCHEMBL285231

COc1ccc(/C=C/C(=O)O)c(OC)c1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.71
CYP1A1 P04798 4/20 0.62
CYP1B1 Q16678 4/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2D6 P10635 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
NPC1 O15118 1/20 0.61
LMNA P02545 1/20 0.61
TP53 P04637 1/20 0.61
RAB9A P51151 1/20 0.61
NFE2L2 Q16236 2/20 0.57
CHRNA7 P36544 1/20 0.57
CYP3A4 P08684 1/20 0.57
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
HSD17B10 Q99714 2/20 0.56
HTR1A P08908 1/20 0.56
HTR2C P28335 1/20 0.56
ALOX15 P16050 1/20 0.54

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
SCHEMBL285232 1.00 ABCG2 (0.71) ABCG2CYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL30560976 1.00 ABCG2 (0.71) ABCG2CYP1A1CYP1B1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4665597 0.98 ABCG2 (0.69) ABCG2CYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL6852627 0.91 ABCG2 (0.57) ABCG2CYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL6852630 0.91 ABCG2 (0.57) ABCG2CYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL10468803 0.91 ABCG2 (0.64) ABCG2CYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL10468802 0.91 ABCG2 (0.64) ABCG2CYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL1276315 0.90 ABCG2 (0.59) ABCG2CYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL6787194 0.89 ABCG2 (0.61) ABCG2CYP1A1CYP1B1CYP1A2CYP2D6
SCHEMBL9329874 0.89 ABCG2 (0.61) ABCG2CYP1A1CYP1B1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220170066-A1 DIFFERENTIATION OF LYME DISEASE AND SOUTHERN TICK-ASSOCIATED RASH ILLNESS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2022-06-02 US claimed
US-20190016745-A1 AMINOGLYCOSIDE DERIVATIVES AND USES THEREOF IN TREATING MICROBIAL INFECTIONS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2019-01-17 US claimed
EP-3400231-A1 AMINOGLYCOSIDE DERIVATIVES AND USES THEREOF IN TREATING MICROBIAL INFECTIONS Technion Research & Development Foundation Limited (IL) 2018-11-14 EP claimed
US-20180282361-A1 AMINOGLYCOSIDE DERIVATIVES AND USES THEREOF IN TREATING GENETIC DISORDERS ELOXX PHARMACEUTICALS LTD. (IL) 2018-10-04 US claimed
EP-3344641-A1 AMINOGLYCOSIDE DERIVATIVES AND USES THEREOF IN TREATING GENETIC DISORDERS Eloxx Pharmaceuticals Ltd. (IL) 2018-07-11 EP claimed
EP-2921162-B1 OIL-IN-WATER EMULSION COMPOSITION KAO CORP (JP) 2017-08-02 EP claimed
WO-2017118967-A1 AMINOGLYCOSIDE DERIVATIVES AND USES THEREOF IN TREATING MICROBIAL INFECTIONS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2017-07-13 WO claimed
WO-2017037719-A1 AMINOGLYCOSIDE DERIVATIVES AND USES THEREOF IN TREATING GENETIC DISORDERS ELOXX PHARMACEUTICALS LTD. (IL) 2017-03-09 WO claimed
WO-2012173458-A9 STABILIZED ACTIVE MATERIALS CONTAINED IN PLANT CELLS AND METHOD FOR PREPARING SAME (주)아모레퍼시픽 (KR) 2013-03-07 WO claimed
WO-2012173458-A2 STABILIZED ACTIVE MATERIALS CONTAINED IN PLANT CELLS AND METHOD FOR PREPARING SAME (주)아모레퍼시픽 (KR) 2012-12-20 WO claimed
US-6027890-A DETECTING LIGAND BINDING BY INCUBATING TAGGED MEMBERS WITH BIOLOGICAL SAMPLE, SEPARATING BOUND FROM UNBOUND MEMBERS, CLEAVING TAG, THEN DETECTING BY NON-FLUORESCENT SPECTROSCOPY OR POTENTIOMETRY RAPIGENE, INC. (US) 2000-02-22 US claimed
EP-0962464-A2 Methods and compositions for detecting binding of ligand pair using non-fluorescent label Rapigene, Inc. (US) 1999-12-08 EP claimed
WO-1999005319-A9 METHODS AND COMPOUNDS FOR ANALYZING NUCLEIC ACIDS BY MASS SPECTROMETRY RAPIGENE INC (US) 1999-06-17 WO claimed
WO-1999005319-A2 METHODS AND COMPOUNDS FOR ANALYZING NUCLEIC ACIDS BY MASS SPECTROMETRY RAPIGENE, INC. (US) 1999-02-04 WO claimed
EP-0868535-A2 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES Rapigene, Inc. (US) 1998-10-07 EP claimed
EP-0850320-A2 METHODS AND COMPOSITIONS FOR DETECTING BINDING OF LIGAND PAIR USING NON-FLUORESCENT LABEL DARWIN MOLECULAR CORPORATION (US) 1998-07-01 EP claimed
WO-1997027331-A9 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES 1997-10-09 WO claimed
WO-1997027331-A2 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES RAPIGENE, INC. (US) 1997-07-31 WO claimed
WO-1997027327-A2 METHODS AND COMPOSITIONS FOR DETECTING BINDING OF LIGAND PAIR USING NON-FLUORESCENT LABEL RAPIGENE, INC. (US) 1997-07-31 WO claimed
EP-0174064-B1 COMPOSITIONS AND COMPOUNDS FOR THE TREATMENT OF PROSTATIC ADENOMA INVERNI DELLA BEFFA S.P.A. (IT) 1989-12-06 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20190016745-A1 AMINOGLYCOSIDE DERIVATIVES AND USES THEREOF IN TREATING MICROBIAL INFECTIONS ALPI, MGAM, AASDHPPT ABCG2 96/4885CYP1A1 1336/4885CYP1B1 1051/4885
US-20180282361-A1 AMINOGLYCOSIDE DERIVATIVES AND USES THEREOF IN TREATING GENETIC DISORDERS UPF1, AARS1, NUDT21 ABCG2 265/4885CYP1A1 2429/4885CYP1B1 1289/4885

“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.