SCHEMBL2872095

SCHEMBL2872095

CCCCOc1ccc(Cc2cc(C=O)ccc2OCOC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 3/20 0.50
HPGD P15428 3/20 0.50
AHR P35869 1/20 0.42
FDPS P14324 1/20 0.42
PKM P14618 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
PDE4A P27815 1/20 0.39
HIF1A Q16665 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 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
SCHEMBL2868500 0.96 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL2867499 0.95 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL2872088 0.91 RAB9A (0.44) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL2867972 0.90 TACR2 (0.44) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL2868585 0.90 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL2859708 0.88 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL2872163 0.88 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL2871306 0.87 NPC1 (0.52) ALDH1A1MAPTSMN1; SMN2HPGDFDPS
SCHEMBL2874065 0.87 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL2872106 0.86 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2LMNAHPGD

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 4759/4885SMN1; SMN2 3235/4885

“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.