SCHEMBL3757038

SCHEMBL3757038

C=Cc1ccc(C(=O)C(O)c2ccc(C=C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 7/20 0.55
CES1 P23141 6/20 0.55
LMNA P02545 3/20 0.53
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 2/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
MAPK1 P28482 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL6930896 0.91 LMNA (0.69) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL9282441 0.91 LMNA (0.69) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL30306610 0.81 ALDH1A1 (0.52) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL23419503 0.81 ALDH1A1 (0.50) CES2CES1LMNAALDH1A1TSHR
SCHEMBL12412504 0.79 ABCG2 (0.44) CES2CES1LMNAALDH1A1TAS1R3
SCHEMBL11455668 0.78 KDM4E (0.59) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL9252175 0.78 TAS1R3 (0.51) LMNAALDH1A1KDM4ETSHRTDP1
SCHEMBL8149482 0.77 CES2 (0.60) CES2CES1LMNAALDH1A1KDM4E
SCHEMBL30306602 0.76 ALDH1A1 (0.44) LMNAALDH1A1TSHRTDP1TAS1R3
SCHEMBL27583890 0.76 LMNA (0.69) CES2CES1LMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8597579-B1 Molecularly imprinted polymer-denuder based sensors THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2013-12-03 US claimed
US-20120164027-A1 Polymer Based Lanthanide Luminescent Sensors for the Detection of Organophosphorus Compounds MURRAY GEORGE M (US) 2012-06-28 US claimed
US-7416703-B2 Polymer based lanthanide luminescent sensors for the detection of organophosphorus compounds THE JOHNS HOPKINS UNIVERSITY (US) 2008-08-26 US claimed
US-20050019218-A1 Polymer based lanthanide luminescent sensors for the detection of organophosphorus compounds MURRAY GEORGE M (US) 2005-01-27 US claimed
US-20040265178-A1 Molecularly imprinted polymer solution anion sensor MURRAY GEORGE M (US) 2004-12-30 US claimed
EP-1436599-A2 MOLECULARLY IMPRINTED POLYMER SOLUTION ANION SENSOR The Johns Hopkins University (US) 2004-07-14 EP claimed
US-6749811-B2 QUANTITATIVE ANALYSIS; USING POLYMER BOUND TO RARE EARTH COMPOUND; WATER POLLUTION CONTROL THE JOHNS HOPKINS UNIVERSITY 2004-06-15 US claimed
US-20030129092-A1 Molecularly imprinted polymer solution anion sensor JOHN HOPKINS UNIVERSITY, THE 2003-07-10 US claimed
WO-2003034043-A2 MOLECULARLY IMPRINTED POLYMER SOLUTION ANION SENSOR THE JOHNS HOPKINS UNIVERSTIY (US) 2003-04-24 WO claimed
US-8597579-B1 Molecularly imprinted polymer-denuder based sensors THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2013-12-03 US disclosed
US-20120164027-A1 Polymer Based Lanthanide Luminescent Sensors for the Detection of Organophosphorus Compounds MURRAY GEORGE M (US) 2012-06-28 US disclosed
US-7842830-B2 Transition-metal charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2010-11-30 US disclosed
US-7416703-B2 Polymer based lanthanide luminescent sensors for the detection of organophosphorus compounds THE JOHNS HOPKINS UNIVERSITY (US) 2008-08-26 US disclosed
US-20080121870-A1 Transition-Metal Charge Transport Materials, Methods Of Fabrication Thereof, And Methods Of Use Thereof GEORGIA TECH RESEACH CORPORATION 2008-05-29 US disclosed
WO-2003033575-A1 POLYMER BASED PERMEABLE MEMBRANE FOR REMOVAL OF IONS THE JOHNS HOPKINS UNIVERSITY (US) 2003-04-24 WO disclosed
WO-2003034043-A2 MOLECULARLY IMPRINTED POLYMER SOLUTION ANION SENSOR THE JOHNS HOPKINS UNIVERSTIY (US) 2003-04-24 WO disclosed
US-20030003587-A1 Molecularly imprinted polymer based sensors for the detection of narcotics JOHNS HOPKINS UNIVERSITY, THE 2003-01-02 US disclosed
WO-2001077672-A2 MOLECULARLY IMPRINTED POLYMER BASED SENSORS FOR THE DETECTION OF NARCOTICS THE JOHNS HOPKINS UNIVERSITY (US) 2001-10-18 WO disclosed
US-4187361-A CONTAINING BENZOIN OXIME GROUPS GENERAL ELECTRIC COMPANY (US) 1980-02-05 US disclosed
US-4110312-A OXIDATIVE COUPLING OF A PHENOL, MANGANESE COMPLEX CATALYST GENERAL ELECTRIC COMPANY (US) 1978-08-29 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-20080121870-A1 Transition-Metal Charge Transport Materials, Methods Of Fabrication Thereof, And Methods Of Use Thereof SLC39A3, SLC6A6, SLC6A9 CES2 1387/4885CES1 4295/4885LMNA 1038/4885

“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.