SCHEMBL2871306

SCHEMBL2871306

COCOc1ccc(C=O)cc1Cc1ccc(OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 10/20 0.47
CYP2A6 P11509 1/20 0.47
FDPS P14324 1/20 0.46
TSHR P16473 1/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
CYP1A2 P05177 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
AOX1 Q06278 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL2872088 0.93 RAB9A (0.44) NPC1RAB9ATDP1ALDH1A1FDPS
SCHEMBL2867972 0.90 TACR2 (0.44) NPC1RAB9ATDP1ALDH1A1FDPS
SCHEMBL2872106 0.88 ALDH1A1 (0.46) ALDH1A1FDPSTSHRMAPTMEN1
SCHEMBL2872095 0.87 ALDH1A1 (0.50) NPC1RAB9ATDP1ALDH1A1FDPS
SCHEMBL2867499 0.87 ALDH1A1 (0.47) NPC1RAB9ATDP1ALDH1A1FDPS
SCHEMBL2867573 0.87 TTR (0.51) NPC1RAB9ATDP1ALDH1A1FDPS
SCHEMBL2870013 0.87 ALDH1A3 (0.50) NPC1RAB9ATDP1ALDH1A1FDPS
SCHEMBL2863712 0.84 TTR (0.45) NPC1RAB9ATDP1ALDH1A1FDPS
SCHEMBL2868500 0.84 ALDH1A1 (0.47) ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL2868585 0.84 ALDH1A1 (0.48) NPC1RAB9ATDP1ALDH1A1FDPS

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 3 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
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 NPC1 1456/4885RAB9A 2390/4885TDP1 4520/4885

“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.