SCHEMBL28720301

SCHEMBL28720301

Cc1cc(C)c(C(C)(C)CCO[Si](C)(C)C(C)(C)C)c(OC(=O)CCCN=[N+]=[N-])c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.33
PGAM1 P18669 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL28527043 0.89 ALDH1A1 (0.34) MEN1ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL18613472 0.87 MAPT (0.33) MEN1ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL5605635 0.86 ALDH1A1 (0.34) MEN1ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL28527045 0.86 TSHR (0.36) MEN1ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL22125604 0.85 ALOX5 (0.37) ALOX5PGAM1MEN1ALDH1A1CYP1A2
SCHEMBL24822046 0.84 TOP2A (0.36) KMT2ASMN1; SMN2
SCHEMBL18613473 0.83 TSHR (0.34) ALDH1A1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL22125713 0.81 ALOX5 (0.35) ALOX5PGAM1MEN1ALDH1A1CYP1A2
SCHEMBL22125759 0.80 ALOX5 (0.36) ALOX5PGAM1MEN1ALDH1A1CYP1A2
SCHEMBL20624632 0.79 ELANE (0.32) ALDH1A1CYP1A2CYP2C9SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220072138-A1 NRTI THERAPIES THE JOHNS HOPKINS UNIVERSITY 2022-03-10 US disclosed
CN-113474008-A NRTI therapy 利物浦大学 2021-10-01 CN 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-20220072138-A1 NRTI THERAPIES TK1, PNP, TYMP ALOX5 910/4885PGAM1 546/4885MEN1 4718/4885

“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.