SCHEMBL490763

SCHEMBL490763

O=C(O)CC(C(=O)O)c1cc[c]cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
ALDH1A1 P00352 2/20 0.56
GAA P10253 2/20 0.56
POLB P06746 4/20 0.54
TDP1 Q9NUW8 1/20 0.54
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 3/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C9 P11712 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CPA1 P15085 2/20 0.36
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
CPB1 P15086 1/20 0.36
CPA3 P15088 1/20 0.36
CPB2 Q96IY4 1/20 0.36

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
SCHEMBL11137284 0.85 L3MBTL1 (0.71) L3MBTL1ALDH1A1GAAPOLBTDP1
SCHEMBL11136320 0.82 CYP2C19 (0.40) L3MBTL1ALDH1A1GAAPOLBTDP1
SCHEMBL29903902 0.81 L3MBTL1 (0.61) L3MBTL1ALDH1A1GAAPOLBTDP1
SCHEMBL146867 0.81 L3MBTL1 (0.61) L3MBTL1ALDH1A1GAAPOLBTDP1
SCHEMBL377175 0.81 L3MBTL1 (0.61) L3MBTL1ALDH1A1GAAPOLBTDP1
SCHEMBL377609 0.81 L3MBTL1 (0.61) L3MBTL1ALDH1A1GAAPOLBTDP1
SCHEMBL647490 0.80 AKR1C3 (0.46) L3MBTL1ALDH1A1GAAPOLBCYP2C19
SCHEMBL23782080 0.79 L3MBTL1 (0.59) L3MBTL1ALDH1A1GAAPOLBTDP1
SCHEMBL6739142 0.79 L3MBTL1 (0.59) L3MBTL1ALDH1A1GAAPOLBTDP1
SCHEMBL27939444 0.79 L3MBTL1 (0.65) L3MBTL1ALDH1A1GAAPOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8105770-B2 Method of detecting amplification or deletion in genomic DNA Fragment WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-01-31 US disclosed
US-20100129293-A1 Near Infrared Imaging Agent INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT BERLIN (DE) 2010-05-27 US disclosed
US-20100112711-A1 METHOD OF DETECTING AMPLIFICATION OR DELETION IN GENOMIC DNA FRAGMENT WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-05-06 US disclosed
US-7655217-B2 Near infrared imaging agent Institut fur Diagnosikforschung GmbH (DE) 2010-02-02 US disclosed
EP-2119797-A1 METHOD OF DETECTING AMPLIFICATION OR DELETION IN GENOMIC DNA FRAGMENT Wako Pure Chemical Industries, Ltd. (JP) 2009-11-18 EP disclosed
US-7445767-B2 In-vivo diagnostic method by near infrared radiation INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT BERLIN (DE) 2008-11-04 US disclosed
US-20060165599-A1 Near infrared imaging agent INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH (DE) 2006-07-27 US disclosed
US-20060165598-A1 In-vivo diagnostic method by near infrared radiation INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT BERLIN (DE) 2006-07-27 US disclosed
US-7025949-B2 In-vivo diagnostic method by means of near infrared radiation INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT BERLIN (DE) 2006-04-11 US disclosed
US-6926885-B2 In-vivo diagnostic method by means of near infrared radiation INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH (DE) 2005-08-09 US disclosed
US-20050169844-A1 Near infrared imaging agent INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT BERLIN (DE) 2005-08-04 US disclosed
US-6913743-B2 As contrast medium for fluorescence and transillumination diagnostics; drugs INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT BERLIN (DE) 2005-07-05 US disclosed
US-20050106106-A1 In-vivo diagnostic method by near infrared radiation INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT BERLIN (DE) 2005-05-19 US disclosed
US-20030170179-A1 Near infrared imaging agent INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITA (COPY) 2003-09-11 US disclosed
US-20030026763-A1 In-vivo diagnostic method by means of near infrared radiation INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT BERLIN 2003-02-06 US disclosed
CN-1089008-C In-vivo diagnostic process by near infrared radiation DIAGNOSTIKFORSCHUNG INST (DE) 2002-08-14 CN disclosed
US-20010055567-A1 In-vivo diagnostic method by means of near infrared radiation INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT BERLIN 2001-12-27 US disclosed
US-6258340-B1 USING WATER-SOLUBLE DYES AND THEIR BIOMOLECULE ADDUCTS EACH HAVING SPECIFIC PHOTOPHYSICAL AND PHARMOCHEMICAL PROPERTIES INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH (DE) 2001-07-10 US disclosed
US-6083485-A USEING WATER-SOLUBLE DYES AND THEIR BIOMOLECULE ADDUCTS AS CONTRAST MEDIUM FOR FLUORESCENCE AND TRANSILLUMINATION DIAGNOSTICS IN THE NEAR INFRARED RADIATION RANGE INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH (DE) 2000-07-04 US disclosed
CN-1174511-A In-vivo diagnostic process by near infrared radiation DIAGNOSTIKFORSCHUNG INST (DE) 1998-02-25 CN 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 (9 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-20060165598-A1 In-vivo diagnostic method by near infrared radiation GUSB, CYBA, ABCG2 L3MBTL1 2727/4885ALDH1A1 127/4885GAA 1632/4885
US-20100112711-A1 METHOD OF DETECTING AMPLIFICATION OR DELETION IN GENOMIC DNA FRAGMENT GLB1, GDA, DNTT L3MBTL1 509/4885ALDH1A1 1642/4885GAA 130/4885
US-20100129293-A1 Near Infrared Imaging Agent UGT1A10, ABCG2, SLCO1B1 L3MBTL1 3050/4885ALDH1A1 152/4885GAA 1404/4885
US-20050106106-A1 In-vivo diagnostic method by near infrared radiation GUSB, CYBA, ABCG2 L3MBTL1 2727/4885ALDH1A1 127/4885GAA 1632/4885
US-20050169844-A1 Near infrared imaging agent UGT1A10, ABCG2, SLCO1B1 L3MBTL1 3050/4885ALDH1A1 152/4885GAA 1404/4885
US-20060165599-A1 Near infrared imaging agent UGT1A10, ABCG2, SLCO1B1 L3MBTL1 3050/4885ALDH1A1 152/4885GAA 1404/4885
US-20010055567-A1 In-vivo diagnostic method by means of near infrared radiation GUSB, ABCG2, SLCO1B1 L3MBTL1 3000/4885ALDH1A1 153/4885GAA 1100/4885
US-20030026763-A1 In-vivo diagnostic method by means of near infrared radiation GUSB, ABCG2, SLCO1B1 L3MBTL1 3000/4885ALDH1A1 153/4885GAA 1100/4885
US-20030170179-A1 Near infrared imaging agent UGT1A10, ABCG2, SLCO1B1 L3MBTL1 3050/4885ALDH1A1 152/4885GAA 1404/4885

“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.