SCHEMBL2624853

SCHEMBL2624853

Nc1ccc(O)c(OC=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 3/20 0.44
KDM4E B2RXH2 3/20 0.44
CASP1 P29466 2/20 0.44
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 2/20 0.44
CYP3A4 P08684 2/20 0.44
MEN1 O00255 1/20 0.44
TNF P01375 1/20 0.44
HSPD1 P10809 1/20 0.44
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
KDR P35968 1/20 0.44
BRCA1 P38398 1/20 0.44
RECQL P46063 1/20 0.44
CASP7 P55210 1/20 0.44
HSPE1 P61604 1/20 0.44

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
SCHEMBL2624869 0.86 CASP1 (0.47) ALDH1A1TDP1KDM4ECASP1ALOX15
SCHEMBL7290933 0.81 ALDH1A1 (0.36) ALDH1A1TDP1KDM4ECASP1ALOX15
SCHEMBL3037420 0.81 MAOB (0.54) ALDH1A1TDP1KDM4EALOX15HSD17B10
SCHEMBL16022012 0.78 CASP1 (0.47) ALDH1A1KDM4ECASP1ALOX15HSD17B10
SCHEMBL12374357 0.78 TRPA1 (0.46) ALDH1A1TDP1KDM4EALOX15HSD17B10
SCHEMBL24445914 0.78 CA3 (0.40) ALDH1A1TDP1HPGDTRIM24ALDH5A1
SCHEMBL1012820 0.78 ALDH1A1 (0.67) ALDH1A1TDP1KDM4EHSD17B10HPGD
SCHEMBL28459787 0.77 ALDH1A1 (0.44) ALDH1A1TDP1KDM4ECASP1ALOX15
SCHEMBL17498275 0.75 CA1 (0.52) ALDH1A1TDP1KDM4ECASP1ALOX15
SCHEMBL16704450 0.75 TRPA1 (0.62) ALDH1A1TDP1KDM4ECASP1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150306237-A1 HYALURONIC ACID-ANTIOXIDANT CONJUGATES AND THEIR USES UNIVERSITY OF GENEVA (CH) 2015-10-29 US disclosed
US-8883462-B2 Triprenyl phenol compound, process for production of triprenyl phenol compound, and thrombolysis enhancer TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY TLO CO., LTD. (JP) 2014-11-11 US disclosed
US-8754197-B2 Synthesis of azo bonded immunoregulatory compounds BIOCON LIMITED (IN) 2014-06-17 US disclosed
US-20130096286-A1 SYNTHESIS OF AZO BONDED IMMUNOREGULATORY COMPOUNDS BIOCON LIMITED (IN) 2013-04-18 US disclosed
US-8314214-B2 Synthesis of azo bonded immunoregulatory compounds BIOCON LIMITED (IN) 2012-11-20 US disclosed
US-8175860-B2 Method of inhibiting the growth of Helicobacter pylori NATIONAL TSING HUA UNIVERSITY (TW) 2012-05-08 US disclosed
US-20120100579-A1 TRIPRENYL PHENOL COMPOUND, PROCESS FOR PRODUCTION OF TRIPRENYL PHENOL COMPOUND, AND THROMBOLYSIS ENHANCER TOKYO UNIVERSITY OF AGRICLATURE AND TECHNOLOGY TLO CO., LTD. (JP) 2012-04-26 US disclosed
US-20110201792-A1 SYNTHESIS OF AZO BONDED IMMUNOREGULATORY COMPOUNDS BIOCON LIMITED (IN) 2011-08-18 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 (3 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-20130096286-A1 SYNTHESIS OF AZO BONDED IMMUNOREGULATORY COMPOUNDS C3AR1, HRH4, FCGRT ALDH1A1 836/4885TDP1 4629/4885KDM4E 2574/4885
US-20150306237-A1 HYALURONIC ACID-ANTIOXIDANT CONJUGATES AND THEIR USES CD44, HAO2, LPO ALDH1A1 84/4885TDP1 1898/4885KDM4E 4231/4885
US-20110201792-A1 SYNTHESIS OF AZO BONDED IMMUNOREGULATORY COMPOUNDS CBR1, CBR3, HRH4 ALDH1A1 75/4885TDP1 4148/4885KDM4E 1902/4885

“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.