SCHEMBL7212643

SCHEMBL7212643

O=Cc1ccc(C(=O)OCCSc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 8/20 0.46
RECQL P46063 3/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.45
ESR1 P03372 1/20 0.43

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
SCHEMBL10345933 0.86 TDP1 (0.63) TDP1TSHRMAPK1L3MBTL1ALDH1A1
SCHEMBL10346028 0.82 RAB9A (0.56) TDP1TSHRMAPK1L3MBTL1ALDH1A1
SCHEMBL19219007 0.81 ALDH1A1 (0.62) TDP1TSHRMAPK1ALDH1A1MAPT
SCHEMBL11301112 0.80 TDP1 (0.56) TDP1TSHRMAPK1L3MBTL1ALDH1A1
SCHEMBL10345791 0.79 ALDH1A1 (0.63) TDP1TSHRMAPK1L3MBTL1ALDH1A1
SCHEMBL16217659 0.77 TDP1 (0.51) TDP1MAPK1L3MBTL1ALDH1A1MAPT
SCHEMBL16217652 0.77 TDP1 (0.51) TDP1MAPK1L3MBTL1ALDH1A1MAPT
SCHEMBL9100168 0.77 ESR1 (0.57) TDP1L3MBTL1ALDH1A1RECQLSMN1; SMN2
SCHEMBL23928034 0.76 ALDH1A1 (0.56) TDP1TSHRMAPK1ALDH1A1MAPT
SCHEMBL8382842 0.76 TDP1 (0.58) TDP1TSHRMAPK1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620820-B2 Imidazole dione or one, thione derivatives as antitumor and antiinflammatory agents, also treats cardiovascular disease, nephropathies and retinopathies HOECHST AKTIENGESELLSCHAFT (DE) 2003-09-16 US disclosed
US-20020119999-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors HOECHST AKTIENGESELLSCHAFT 2002-08-29 US disclosed
US-20010021708-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors WEHNER VOLKMAR (DE) 2001-09-13 US disclosed
US-6218415-B1 THERAPY OF BONE REABSORPTION BY OSTEOCLASTS, TUMOR GROWTH AND TUMOR METASTASIS, INFLAMMATION, CARDIOVASCULAR DISEASE, NEPHROPATHIES AND RETINOPATHIES HOECHST AKTIENGESELLSCHAFT (DE) 2001-04-17 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 (2 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-20010021708-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors ADGRF1, CALCR, SOST TDP1 4865/4885TSHR 631/4885MAPK1 1663/4885
US-20020119999-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors ADGRF1, CALCR, SOST TDP1 4865/4885TSHR 631/4885MAPK1 1663/4885

“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.