SCHEMBL2741240

SCHEMBL2741240

Cc1c(C)c(O)c(C(C)(C)C)c(C)c1O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
TYR P14679 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CA1 P00915 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
SCHEMBL784952 0.94 CA2 (0.38) CA2ALDH1A1POLBTYRSMN1; SMN2
SCHEMBL2741247 0.92 ALDH1A1 (0.33) CA2ALDH1A1POLBTYRSMN1; SMN2
SCHEMBL15504703 0.86 ALDH1A1 (0.33) CA2ALDH1A1POLBTYRSMN1; SMN2
SCHEMBL784967 0.85 CA2 (0.36) CA2ALDH1A1POLBTYRSMN1; SMN2
SCHEMBL8106600 0.85 CA2 (0.36) CA2ALDH1A1POLBTYRSMN1; SMN2
SCHEMBL11656526 0.83 ALDH1A1 (0.32) CA2ALDH1A1POLBTYRSMN1; SMN2
SCHEMBL11529852 0.83 ALDH1A1 (0.32) CA2ALDH1A1POLBTYRSMN1; SMN2
SCHEMBL9068216 0.82 CA2 (0.35) CA2ALDH1A1POLBTYRSMN1; SMN2
SCHEMBL7907472 0.79 CA2 (0.36) CA2ALDH1A1POLBTYRSMN1; SMN2
SCHEMBL20558662 0.77 CA2 (0.35) CA2ALDH1A1POLBTYRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11541120-B2 Phosphonium-based ionic drug conjugates ANTHOS PARTNERS, LP (US) 2023-01-03 US disclosed
US-20200353087-A1 PHOSPHONIUM-BASED IONIC DRUG CONJUGATES ANTHOS PARTNERS, LP 2020-11-12 US disclosed
US-9523060-B2 Lubricant oil compositions POLNOX CORPORATION (US) 2016-12-20 US disclosed
US-20150159109-A1 Lubricant Oil Compositions POLNOX CORPORATION 2015-06-11 US disclosed
US-8927472-B2 Lubricant oil compositions POLNOX CORPORATION (US) 2015-01-06 US disclosed
US-20130130955-A1 LUBRICANT OIL COMPOSITIONS POLNOX CORPORATION (US) 2013-05-23 US disclosed
US-20120004150-A1 Lubricant Oil Compositions POLNOX CORPORATION 2012-01-05 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 (2 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-20200353087-A1 PHOSPHONIUM-BASED IONIC DRUG CONJUGATES SLC8B1, PHOSPHO1, PBDC1 CA2 533/4885ALDH1A1 4047/4885POLB 1236/4885
US-11541120-B2 Phosphonium-based ionic drug conjugates SLC8B1, PHOSPHO1, PBDC1 CA2 533/4885ALDH1A1 4047/4885POLB 1236/4885

“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.