SCHEMBL12012720

SCHEMBL12012720

CCc1cc(P(=O)(O)O)cc(C)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGK1 P00558 2/20 0.38
▸ PGK2 P07205 2/20 0.38
▸ SHBG P04278 1/20 0.36
▸ ESR1 P03372 2/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ GABRA1 P14867 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ PTPN5 P54829 1/20 0.34
▸ CA2 P00918 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ THRA P10827 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CA4 P22748 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
SCHEMBL13541165 0.83 CA2 (0.48) PGK1PGK2ESR1ESR2CA2
SCHEMBL12012729 0.79 POLB (0.43) PGK1PGK2SHBGESR1ESR2
SCHEMBL1021767 0.73 ALDH1A1 (0.48) SHBGESR1ESR2GABRA1GABRB2
SCHEMBL31028130 0.73 CA1 (0.59) SHBGESR1ESR2GABRA1GABRB2
SCHEMBL30576381 0.73 ALDH1A1 (0.48) SHBGESR1ESR2GABRA1GABRB2
SCHEMBL30250589 0.73 CA1 (0.59) SHBGESR1ESR2GABRA1GABRB2
SCHEMBL9749694 0.73 CA1 (0.59) SHBGESR1ESR2GABRA1GABRB2
SCHEMBL70083 0.73 CYP3A4 (0.42) SHBGESR1ESR2GABRA1GABRB2
SCHEMBL27647441 0.72 ESR1 (0.44) SHBGESR1ESR2GABRA1GABRB2
SCHEMBL1022721 0.71 SHBG (0.55) SHBGESR1ESR2GABRA1GABRB2

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 PGK1 776/4885PGK2 866/4885SHBG 3044/4885

“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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