SCHEMBL2624869

SCHEMBL2624869

Nc1ccc(OC=O)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 5/20 0.42
CYP3A4 P08684 4/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
ESR2 Q92731 1/20 0.42
PTPN1 P18031 1/20 0.42
TDP1 Q9NUW8 3/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AOX1 Q06278 1/20 0.39
KDR P35968 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
TNF P01375 1/20 0.38

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
SCHEMBL2624853 0.86 ALDH1A1 (0.44) CASP1TSHRALDH1A1CYP3A4MAPT
SCHEMBL16418462 0.79 ALDH1A1 (0.41) TSHRALDH1A1CYP3A4MAPTKDM4E
SCHEMBL28459787 0.79 ALDH1A1 (0.44) CASP1TSHRALDH1A1CYP3A4MAPT
SCHEMBL1347657 0.76 CASP1 (0.50) CASP1TSHRALDH1A1CYP3A4MAPT
SCHEMBL16546178 0.76 TTR (0.53) TSHRALDH1A1CYP3A4MAPTTDP1
SCHEMBL28832700 0.76 CYP3A4 (0.46) CASP1TSHRALDH1A1CYP3A4MAPT
SCHEMBL28308098 0.76 ALDH1A1 (0.46) CASP1TSHRALDH1A1CYP3A4MAPT
SCHEMBL7357313 0.76 ALDH1A1 (0.67) TSHRALDH1A1MAPTKDM4ETDP1
SCHEMBL13643270 0.76 ALDH1A1 (0.56) TSHRALDH1A1CYP3A4MAPTKDM4E
SCHEMBL7290933 0.75 ALDH1A1 (0.36) CASP1TSHRALDH1A1CYP3A4MAPT

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-9580383-B2 Compositions and methods for the treatment of multiple sclerosis CELLIX BIO PRIVATE LIMITED (IN) 2017-02-28 US disclosed
US-9498461-B2 Compositions and methods for the treatment of inflammatory bowel disease CELLIX BIO PRIVATE LIMITED (IN) 2016-11-22 US disclosed
US-9333187-B1 Compositions and methods for the treatment of inflammatory bowel disease CELLIX BIO PRIVATE LIMITED (IN) 2016-05-10 US disclosed
US-20160120839-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CELLIX BIO PRIVATE LIMITED (IN) 2016-05-05 US disclosed
US-20160120838-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CELLIX BIO PRIVATE LIMITED (IN) 2016-05-05 US disclosed
US-20160122291-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MULTIPLE SCLEROSIS CELLIX BIO PRIVATE LIMITED (IN) 2016-05-05 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-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

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-20160120838-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE ALPI, SLC10A2, SI CASP1 520/4885TSHR 2803/4885ALDH1A1 934/4885
US-20160122291-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MULTIPLE SCLEROSIS PMP22, SI, AQP4 CASP1 380/4885TSHR 4377/4885ALDH1A1 2620/4885
US-20160120839-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE ALPI, SLC10A2, SI CASP1 520/4885TSHR 2803/4885ALDH1A1 934/4885

“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.