SCHEMBL17308142

SCHEMBL17308142

CC(=O)OCC1c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
EGFR P00533 1/20 0.38
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 1/20 0.36
PLA2G1B P04054 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
POLB P06746 1/20 0.36
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL13434042 0.94 MAPT (0.38) MAPTCYP2C9EGFRALDH1A1NPC1
SCHEMBL23567967 0.87 EGFR (0.37) MAPTEGFRALDH1A1NPC1PLA2G1B
SCHEMBL17308140 0.87 CYP2C19 (0.38) EGFRALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL26197278 0.85 EGFR (0.36) MAPTCYP2C9EGFRALDH1A1NPC1
SCHEMBL21884000 0.85 MEN1 (0.44) MAPTCYP2C9EGFRALDH1A1NPC1
SCHEMBL9979772 0.83 MAPT (0.38) MAPTCYP2C9EGFRALDH1A1NPC1
SCHEMBL20546635 0.82 EPHX2 (0.36) EGFRALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL29806306 0.82 EPHX2 (0.36) EGFRALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL23567965 0.79 EGFR (0.39) MAPTEGFRALDH1A1NPC1PLA2G1B
SCHEMBL13434043 0.78 ALDH1A1 (0.45) ALDH1A1POLBKMT2AMEN1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11357828-B2 Releasable GLP-1 conjugates QUIAPEG PHARMACEUTICALS AB (SE) 2022-06-14 US disclosed
US-20210206809-A1 PEPTIDE NUCLEIC ACID (PNA) MONOMERS WITH AN ORTHOGONALLY PROTECTED ESTER MOIETY VERA THERAPEUTICS INC (US) 2021-07-08 US disclosed
WO-2021127461-A1 METHODS OF SYNTHESIZING 4-VALYLOXYBUTYRIC ACID XW LABORATORIES LIMITED (CN) 2021-06-24 WO disclosed
WO-2020053815-A1 RELEASABLE GLP-1 CONJUGATES QUIAPEG PHARMACEUTICALS AB (SE) 2020-03-19 WO disclosed
US-20150346170-A1 Extraction, Derivatization, and Quantification of Analytes QUANTALYTICAL LABS INC. (US) 2015-12-03 US disclosed
US-20150346170-A1 Extraction, Derivatization, and Quantification of Analytes QUANTALYTICAL LABS INC. (US) 2015-12-03 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-20210206809-A1 PEPTIDE NUCLEIC ACID (PNA) MONOMERS WITH AN ORTHOGONALLY PROTECTED ESTER MOIETY AGO2, TARBP1, TPR MAPT 2695/4885CYP2C9 4085/4885EGFR 298/4885
US-11357828-B2 Releasable GLP-1 conjugates GLP1R, GIPR, IAPP MAPT 3972/4885CYP2C9 1961/4885EGFR 2095/4885

“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.