SCHEMBL2872167

SCHEMBL2872167

CCOc1ccc(Cc2ccc(CCl)s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.47
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 1/20 0.40
DHFR P00374 1/20 0.40
TP53 P04637 2/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC5A2 P31639 1/20 0.39

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
SCHEMBL2868852 0.80 NQO1 (0.47) NQO1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL2863695 0.77 PTPN1 (0.43) NQO1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL2864616 0.77 POLB (0.46) NQO1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL1390870 0.76 NQO1 (0.67) NQO1MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL24604285 0.75 L3MBTL1 (0.63) NQO1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL2488793 0.75 NQO1 (0.74) NQO1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL2865016 0.74 PLK1 (0.42) NQO1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL2866272 0.71 POLB (0.46) MAPTALDH1A1GAASMN1; SMN2HPGD
SCHEMBL6158908 0.71 LTA4H (0.61) NQO1MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL10565399 0.71 NQO1 (0.36) NQO1MAPTALDH1A1SMN1; SMN2KDM4E

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-7691898-B2 Phosphonic acid derivatives and the treating agents of diseases related hyperphosphatemia KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2010-04-06 US disclosed
US-20080119441-A1 Phosphonic Acid Derivatives and the Treating Agents of Diseases Related Hyperphosphatemia KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
CN-101072783-A Phosphonic acid derivative and therapeutic agent for disease in which high phosphate level in blood participates KOTOBUKI PHARMACEUTICAL CO LTD (JP) 2007-11-14 CN disclosed
EP-1813620-A1 PHOSPHONIC ACID DERIVATIVE AND THERAPEUTIC AGENT FOR DISEASE IN WHICH HIGH PHOSPHATE LEVEL IN BLOOD PARTICIPATES Kotobuki Pharmaceutical Co., Ltd. (JP) 2007-08-01 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-20080119441-A1 Phosphonic Acid Derivatives and the Treating Agents of Diseases Related Hyperphosphatemia NR0B1, NR0B2, PTH1R NQO1 1945/4885MAPT 4759/4885ALDH1A1 3773/4885

“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.