SCHEMBL12017306

SCHEMBL12017306

CC(C)(C)c1cc(Cc2ccccc2[PH](=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
DHFR P00374 1/20 0.43
HSPA5 P11021 2/20 0.42
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
MAPK1 P28482 3/20 0.41
HIF1A Q16665 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
BLM P54132 2/20 0.41
ATM Q13315 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
CYP2D6 P10635 1/20 0.41
LMNA P02545 2/20 0.41
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 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
SCHEMBL28384212 0.83 HSPA5 (0.53) GAAMEN1KMT2ADHFRHSPA5
SCHEMBL30464059 0.83 HSPA5 (0.53) GAAMEN1KMT2ADHFRHSPA5
SCHEMBL292109 0.79 HSPA5 (0.50) GAAMEN1KMT2ADHFRHSPA5
SCHEMBL8772273 0.79 MEN1 (0.49) GAAMEN1KMT2ADHFRHSPA5
SCHEMBL9817051 0.75 CA2 (0.59) GAAMEN1KMT2ADHFRHSPA5
SCHEMBL2042110 0.75 DHFR (0.49) GAAMEN1KMT2ADHFRHSPA5
SCHEMBL6448097 0.74 BCL2 (0.45) MEN1KMT2ATSHRHIF1ACYP1A2
SCHEMBL8955910 0.74 HSPA5 (0.51) GAAMEN1KMT2ADHFRHSPA5
SCHEMBL9135602 0.74 DHFR (0.45) GAAMEN1KMT2ADHFRHSPA5
SCHEMBL11089961 0.74 CALM1 (0.52) GAAMEN1KMT2ADHFRHSPA5

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-8436131-B2 Solid state polymerization process for polyester with phosphinic acid compounds BASF SE (DE) 2013-05-07 US disclosed
US-20130035451-A1 Solid State Polymerization Process for Polyester with Phosphinic Acid Compounds BASF SE (DE) 2013-02-07 US disclosed
US-8258253-B2 Solid state polymerization process for polyester with phosphinic acid compounds BASF SE (DE) 2012-09-04 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-20130035451-A1 Solid State Polymerization Process for Polyester with Phosphinic Acid Compounds PHOSPHO1, PIK3C2A, PIK3C2B GAA 3072/4885MEN1 434/4885KMT2A 1470/4885

“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.