SCHEMBL2859708

SCHEMBL2859708

CCCCCCOc1ccc(Cc2cc(C=O)ccc2OCCOCOC)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPT P10636 3/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 2/20 0.43
FDPS P14324 1/20 0.41
THRA P10827 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
KMT2A Q03164 1/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40
SLCO1B1 Q9Y6L6 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
SCHEMBL2872163 1.00 ALDH1A1 (0.47) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL2868500 0.91 ALDH1A1 (0.47) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL2874065 0.91 ALDH1A1 (0.47) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL2871474 0.89 ALDH1A1 (0.48) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL2872095 0.88 ALDH1A1 (0.50) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL2868585 0.85 ALDH1A1 (0.48) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL2867499 0.83 ALDH1A1 (0.47) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL2864975 0.83 TTR (0.46) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL2867773 0.81 HDAC1 (0.41) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL2869122 0.81 ALDH1A1 (0.45) ALDH1A1MAPTLMNASMN1; SMN2HPGD

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 ALDH1A1 3773/4885MAPT 4759/4885LMNA 3859/4885

“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.