SCHEMBL2873201

SCHEMBL2873201

NC(=O)COc1ccc(C=O)cc1Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.44
TTR P02766 1/20 0.44
SRD5A2 P31213 1/20 0.44
HTT P42858 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP3 Q9Y6F1 1/20 0.42
SNCA P37840 1/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 1/20 0.40
ESR1 P03372 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL2867141 0.93 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TTRMAOAMAOB
SCHEMBL2867573 0.82 TTR (0.51) ALDH1A1SMN1; SMN2TTRSRD5A2HTT
SCHEMBL2868480 0.81 TTR (0.50) ALDH1A1SMN1; SMN2TTRHTTCYP2D6
SCHEMBL2868453 0.80 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HPGD
SCHEMBL2872127 0.80 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2SRD5A2HTTCYP3A4
SCHEMBL2864975 0.77 TTR (0.46) ALDH1A1SMN1; SMN2TTRHTTCYP2D6
SCHEMBL2863712 0.77 TTR (0.45) ALDH1A1SMN1; SMN2TTRHTTMAOA
SCHEMBL2871210 0.76 SLC5A1 (0.45) ALDH1A1TTRKDM4EESR1
SCHEMBL2871384 0.76 TTR (0.44) ALDH1A1SMN1; SMN2TTRHTTMAOA
SCHEMBL2863528 0.75 ESR1 (0.44) ALDH1A1TTRCYP2D6CYP2C9CYP2C19

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 3773/4885SMN1; SMN2 3235/4885TTR 1549/4885

“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.