SCHEMBL171492

SCHEMBL171492

CCC(C)(CC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
CA2 P00918 4/20 0.58
POLB P06746 1/20 0.58
TYR P14679 1/20 0.58
CA1 P00915 2/20 0.54
TSHR P16473 4/20 0.52
LMNA P02545 3/20 0.52
GAA P10253 1/20 0.52
HSPA5 P11021 2/20 0.47
CYP2C9 P11712 5/20 0.47
CYP2C19 P33261 5/20 0.47
CYP1A2 P05177 4/20 0.47
MAPT P10636 3/20 0.47
ALOX15 P16050 2/20 0.47
HPN P05981 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
RECQL P46063 1/20 0.46
HIF1A Q16665 4/20 0.46
CYP3A4 P08684 3/20 0.46

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
SCHEMBL11793577 0.83 CA2 (0.54) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL13066334 0.79 ESR1 (0.67) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL27479496 0.79 CA2 (0.50) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL5570006 0.79 CA2 (0.50) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL17500097 0.79 CA2 (0.50) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL35141 0.79 CA2 (0.67) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL6832883 0.78 CYP2C9 (0.57) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL1107957 0.78 CA2 (0.48) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL18630379 0.78 CYP2C9 (0.57) ALDH1A1SMN1; SMN2CA2POLBTYR
SCHEMBL23682340 0.77 ESR1 (0.46) ALDH1A1SMN1; SMN2CA2POLBTYR

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
EP-2426161-A1 Solid State Polymerization Process for Polyester with Phosphinic Acid Compounds BASF SE (DE) 2012-03-07 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-20130035451-A1 Solid State Polymerization Process for Polyester with Phosphinic Acid Compounds PHOSPHO1, PIK3C2A, PIK3C2B ALDH1A1 2966/4885SMN1; SMN2 2002/4885CA2 1365/4885

“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.