SCHEMBL538908

SCHEMBL538908

CCCCOC(=O)C(C)c1ccco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
POLB P06746 2/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL20269292 0.85 KMT2A (0.45) TSHRL3MBTL1TDP1KMT2AMEN1
SCHEMBL4236408 0.83 L3MBTL1 (0.50) TSHRL3MBTL1TDP1KMT2AMEN1
SCHEMBL4233008 0.83 ALDH1A1 (0.43) TSHRL3MBTL1TDP1KMT2AMEN1
SCHEMBL6002417 0.80 TSHR (0.47) TSHRL3MBTL1TDP1KMT2AMEN1
SCHEMBL6002421 0.80 KMT2A (0.49) TSHRL3MBTL1TDP1KMT2AMEN1
SCHEMBL1532507 0.79 ALDH1A1 (0.47) TSHRL3MBTL1TDP1KMT2AMEN1
SCHEMBL5535025 0.76 ALDH1A1 (0.48) L3MBTL1TDP1KMT2AMEN1ALDH1A1
SCHEMBL15896735 0.76 TSHR (0.54) TSHRL3MBTL1TDP1ALDH1A1SMN1; SMN2
SCHEMBL13156984 0.76 TSHR (0.54) TSHRL3MBTL1TDP1ALDH1A1SMN1; SMN2
SCHEMBL11808202 0.76 TSHR (0.54) TSHRL3MBTL1TDP1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060292188-A1 Ophthalmic solution with a flavoring agent BAUSCH & LOMB INCORPORATED 2006-12-28 US claimed
WO-2006132870-A1 OPHTHALMIC SOLUTION WITH A FLAVORING AGENT BAUSCH & LOMB INCORPORATED (US) 2006-12-14 WO claimed
US-9701177-B2 Ceramic coated automotive heat exchanger components HENKEL AG & CO. KGAA (DE) 2017-07-11 US disclosed
US-20130137625-A1 Photo-Responsive Microencapsulation Materials, Compositions and Methods of Use Thereof SOLARBRE, INC. (US) 2013-05-30 US disclosed
US-8246869-B2 Photo-responsive microencapsulation materials, compositions and methods of use thereof SOLARBRE, INC. (US) 2012-08-21 US disclosed
EP-2414764-A2 CERAMIC COATED AUTOMOTIVE HEAT EXCHANGER COMPONENTS Henkel AG & Co. KGaA (DE) 2012-02-08 EP disclosed
WO-2010114988-A2 CERAMIC COATED AUTOMOTIVE HEAT EXCHANGER COMPONENTS HENKEL AG & CO. KGAA (DE) 2010-10-07 WO disclosed
US-20100252241-A1 CERAMIC COATED AUTOMOTIVE HEAT EXCHANGER COMPONENTS HENKEL AG & CO. KGAA (DE) 2010-10-07 US disclosed
US-20090202652-A1 Photo-Responsive Microencapsulation Materials, Compositions and Methods of Use Thereof SOLARBRE, INC. (US) 2009-08-13 US disclosed
EP-1945344-A2 PHOTO-RESPONSIVE MICROENCAPSULATION MATERIALS, COMPOSITIONS AND METHODS OF USE THEREOF Solarbre, Inc. (US) 2008-07-23 EP disclosed
WO-2007051198-A2 PHOTO-RESPONSIVE MICROENCAPSULATION MATERIALS, COMPOSITIONS AND METHODS OF USE THEREOF SOLARBRE, INC (US) 2007-05-03 WO disclosed
US-20070014992-A1 Scented multilayer films and method of making LONGMOORE KENNETH J 2007-01-18 US disclosed
US-20070014993-A1 Scented multilayer films and method of making APPLIED EXTRUSION TECHNOLOGIES, INC. 2007-01-18 US disclosed
US-20060292188-A1 Ophthalmic solution with a flavoring agent BAUSCH & LOMB INCORPORATED 2006-12-28 US disclosed
US-20060292189-A1 Ophthalmic solution with a flavoring agent as a dosing indicator and method for indicating dosage of an ophthalmic solution BAUSCH & LOMB INCORPORATED 2006-12-28 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 (4 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-20090202652-A1 Photo-Responsive Microencapsulation Materials, Compositions and Methods of Use Thereof LIPA, LIPE, CRYAA TSHR 4608/4885L3MBTL1 3746/4885TDP1 3305/4885
US-20060292188-A1 Ophthalmic solution with a flavoring agent TAS2R60, TAS2R10, TAS2R40 TSHR 1000/4885L3MBTL1 4714/4885TDP1 4272/4885
US-20060292189-A1 Ophthalmic solution with a flavoring agent as a dosing indicator and method for indicating dosage of an ophthalmic solution TAS2R7, TAS2R40, TAS2R42 TSHR 984/4885L3MBTL1 4708/4885TDP1 2387/4885
US-20130137625-A1 Photo-Responsive Microencapsulation Materials, Compositions and Methods of Use Thereof LIPA, LIPE, CRYAA TSHR 4608/4885L3MBTL1 3746/4885TDP1 3305/4885

“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.