SCHEMBL2860946

SCHEMBL2860946

CCc1ccc(Cc2ccc(OCc3ccccc3)c(CCl)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.43
GAA P10253 1/20 0.43
ABCB1 P08183 2/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
PTGER1 P34995 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2865170 0.89 PTGER1 (0.44) CCR5GAAABCB1ABCG2HTR1A
SCHEMBL2866224 0.88 ABCB1 (0.44) CCR5GAAABCB1MEN1KMT2A
SCHEMBL2864913 0.85 RXRA (0.45) CCR5ABCB1ABCG2HTR1ADRD2
SCHEMBL2870020 0.83 ALOX5 (0.50) CCR5ABCB1HTR1ADRD2PTGER1
SCHEMBL9618496 0.83 LTA4H (0.53) MEN1KMT2AATMMAPT
SCHEMBL28769112 0.81 ABCB1 (0.41) GAAABCB1ABCG2HTR1ADRD2
SCHEMBL2863551 0.81 ALPG (0.44) PTGER1
SCHEMBL9462409 0.80 MEN1 (0.45) GAAMEN1KMT2AATMMAPT
SCHEMBL2860906 0.80 RAB9A (0.50) CCR5MAPTMAPK1TDP1L3MBTL1
SCHEMBL2868504 0.80 PTGER1 (0.43) ABCB1ABCG2HTR1ADRD2PTGER1

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 CCR5 1393/4885GAA 3823/4885ABCB1 1143/4885

“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.