SCHEMBL2863591

SCHEMBL2863591

ClCc1ccc(Cl)c(Cc2ccc3ccccc3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.50
ALOX5 P09917 1/20 0.47
CYP2A6 P11509 2/20 0.43
CYP1A2 P05177 1/20 0.43
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
TBXA2R P21731 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGFR P43088 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
PTGDR Q13258 1/20 0.41
MPO P05164 1/20 0.40
KMT2A Q03164 1/20 0.39
PDE10A Q9Y233 2/20 0.39
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
TAAR1 Q96RJ0 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
SCHEMBL31355436 0.82 CYP2A6 (0.60) CTRCALOX5CYP2A6CYP1A2KMT2A
SCHEMBL29418999 0.82 CYP2A6 (0.60) CTRCALOX5CYP2A6CYP1A2KMT2A
SCHEMBL905392 0.82 CYP2A6 (0.60) CTRCALOX5CYP2A6CYP1A2KMT2A
SCHEMBL2867017 0.79 CTRC (0.47) CTRCALOX5TBXA2RPTGER4PTGFR
SCHEMBL4574912 0.76 CYP2A6 (0.52) CYP2A6CYP1A2KMT2A
SCHEMBL29041416 0.74 CTRC (0.48) CTRCALOX5CYP2A6CYP1A2SLC6A2
SCHEMBL2867641 0.74 SLC5A2 (0.52) CYP2A6SLC6A3
SCHEMBL2867991 0.74 LOXL2 (0.45) KMT2A
SCHEMBL2873156 0.74 SLC5A2 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL29220739 0.73 IDO1 (0.39) SLC6A2SLC6A4SLC6A3KMT2ATAAR1

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 CTRC 1976/4885ALOX5 427/4885CYP2A6 908/4885

“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.