SCHEMBL12012729

SCHEMBL12012729

CCOP(=O)(OCC)c1cc(C)c(O)c(CC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.43
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ HTR2A P28223 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ GAA P10253 1/20 0.34
▸ HMGCR P04035 2/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ SHBG P04278 1/20 0.33
▸ ESR1 P03372 2/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PGK1 P00558 1/20 0.31
▸ PGK2 P07205 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ GABRA1 P14867 1/20 0.31

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
SCHEMBL12012720 0.79 PGK1 (0.38) GAAMAOASHBGESR1ESR2
SCHEMBL12012728 0.77 HTT (0.36) POLBMEN1KMT2AHTR2AHTR2B
SCHEMBL2990563 0.72 PTPRB (0.44) POLBMEN1KMT2AHMGCRNR1I2
SCHEMBL2986985 0.72 PTPRB (0.44) POLBMEN1KMT2AHMGCRNR1I2
SCHEMBL2534198 0.72 TSHR (0.40) POLBMEN1KMT2AHTR2AHTR2B
SCHEMBL9158892 0.72 HTR2A (0.43) POLBMEN1KMT2AHTR2AHTR2B
SCHEMBL2455787 0.71 HMGCR (0.57) POLBMEN1KMT2AGAAHMGCR
SCHEMBL12229730 0.69 POLB (0.45) POLBMEN1KMT2AHTR2AHTR2B
SCHEMBL31588389 0.69 POLB (0.49) POLBMEN1KMT2AHTR2AHTR2B
SCHEMBL25328398 0.68 NQO1 (0.38) MEN1KMT2AMAOASHBGESR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252954-B2 Processes for the preparation of calixarene derivatives THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2012-08-28 — — US disclosed
US-20100185022-A1 PROCESSES FOR THE PREPARATION OF CALIXARENE DERIVATIVES THE UNIVERSITY OF WESTERN AUSTRALIA (AU) 2010-07-22 — — US 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-20100185022-A1 PROCESSES FOR THE PREPARATION OF CALIXARENE DERIVATIVES CALD1, CANX, CALU POLB 1227/4885MEN1 4093/4885KMT2A 4773/4885

“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.

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