SCHEMBL16355781

SCHEMBL16355781

CC(C)(C)OC(=O)CNc1ccc(CC(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
POLB P06746 1/20 0.41
PPARG P37231 2/20 0.40
KMT2A Q03164 1/20 0.40
RIPK1 Q13546 1/20 0.40
RIPK3 Q9Y572 1/20 0.40
PPARA Q07869 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP17A1 P05093 1/20 0.39
CTNNB1 P35222 1/20 0.39
TCF7L2 Q9NQB0 1/20 0.39
KLK7 P49862 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL4612953 0.94 SMN1; SMN2 (0.51) MAPTLMNASMN1; SMN2KMT2ACYP4F2
SCHEMBL4615301 0.91 NR1H4 (0.47) SMN1; SMN2POLBKMT2ACA2
SCHEMBL1688815 0.90 POLB (0.47) MAPTLMNASMN1; SMN2POLBKMT2A
SCHEMBL28250548 0.86 LOXL2 (0.44) MAPTPOLBTDP1CYP17A1CTNNB1
SCHEMBL24276673 0.83 MAPT (0.46) MAPTLMNASMN1; SMN2MTNR1AMTNR1B
SCHEMBL1039226 0.83 MAPT (0.47) MAPTPOLBKMT2ATDP1ALDH1A1
SCHEMBL17055289 0.83 MTNR1A (0.47) MAPTLMNASMN1; SMN2MTNR1AMTNR1B
SCHEMBL9135786 0.82 MAPT (0.52) MAPTSMN1; SMN2POLBKMT2ATDP1
SCHEMBL5807704 0.82 POLB (0.42) MAPTSMN1; SMN2MTNR1AMTNR1BPOLB
SCHEMBL8299387 0.82 FPR2 (0.47) MAPTLMNASMN1; SMN2POLBKMT2A

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-9199927-B2 Guanidinobenzoic acid compound ASTELLAS PHARMA INC. (JP) 2015-12-01 US disclosed
US-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-25 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-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND SERPINB1, REN, SPINT2 MAPT 1339/4885LMNA 1733/4885SMN1; SMN2 1384/4885

“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.