SCHEMBL6566519

SCHEMBL6566519

COc1cc(C(=O)O)ccc1OCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.69
TSHR P16473 4/20 0.60
ALDH1A1 P00352 2/20 0.60
HPGD P15428 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
RAB9A P51151 4/20 0.53
NPC1 O15118 1/20 0.53
GAA P10253 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA7 P43166 1/20 0.52
TPMT P51580 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
TTR P02766 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL9798906 0.83 MAPK1 (0.69) MAPK1TSHRALDH1A1L3MBTL1GAA
SCHEMBL29227699 0.81 TSHR (0.75) MAPK1TSHRALDH1A1HPGDL3MBTL1
SCHEMBL30960133 0.81 TSHR (0.75) MAPK1TSHRALDH1A1HPGDL3MBTL1
SCHEMBL7340936 0.81 MAPK1 (0.52) MAPK1TSHRALDH1A1L3MBTL1RAB9A
SCHEMBL9633041 0.81 RAB9A (0.60) MAPK1TSHRALDH1A1HPGDL3MBTL1
SCHEMBL8085474 0.80 TSHR (0.78) MAPK1TSHRRAB9ACA12CA1
SCHEMBL8122418 0.80 TSHR (0.78) TSHRCA12CA1CA2CA4
SCHEMBL8816740 0.79 TSHR (0.56) MAPK1TSHRALDH1A1HPGDL3MBTL1
SCHEMBL15013524 0.79 RXFP1 (0.64) MAPK1TSHRALDH1A1HPGDL3MBTL1
SCHEMBL21614005 0.78 TSHR (0.76) TSHRCA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-23 US disclosed
EP-1437344-A1 BENZENE DERIVATIVES,PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 EP 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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof HRH4, HRH2, HRH1 MAPK1 1934/4885TSHR 1061/4885ALDH1A1 907/4885

“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.