SCHEMBL21424366

SCHEMBL21424366

C=CCCCCCC(C(=C)C(C)C)N(C)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
USP2 O75604 3/20 0.33
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 2/20 0.31
RECQL P46063 1/20 0.31
ABCC4 O15439 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
SCHEMBL18723300 0.86
SCHEMBL20980228 0.80 TP53 (0.36) LMNA
SCHEMBL18426964 0.77 ALOX15 (0.34) TSHRALDH1A1USP2
SCHEMBL3121279 0.71 TSHR (0.44) TSHRALDH1A1MAPTUSP2CYP3A4
SCHEMBL3117794 0.71 TSHR (0.44) TSHRALDH1A1MAPTUSP2CYP3A4
SCHEMBL24500940 0.69 TSHR (0.35) TSHRALDH1A1MAPTUSP2CYP3A4
SCHEMBL2139099 0.67 MAPT (0.50) TSHRALDH1A1MAPTUSP2CYP3A4
SCHEMBL10027888 0.67 MAPT (0.50) TSHRALDH1A1MAPTUSP2CYP3A4
SCHEMBL9540135 0.67 MAPT (0.50) TSHRALDH1A1MAPTUSP2CYP3A4
SCHEMBL10027891 0.67 MAPT (0.50) TSHRALDH1A1MAPTUSP2CYP3A4

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-20200308231-A9 SOLUTION-PHASE AFFINITY SELECTION OF INHIBITORS FROM COMBINATORIAL PEPTIDE LIBRARIES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-10-01 US disclosed
US-20190300576-A1 SOLUTION-PHASE AFFINITY SELECTION OF INHIBITORS FROM COMBINATORIAL PEPTIDE LIBRARIES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-10-03 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-20200308231-A9 SOLUTION-PHASE AFFINITY SELECTION OF INHIBITORS FROM COMBINATORIAL PEPTIDE LIBRARIES TP53, MDM2, MDM4 TSHR 4784/4885ALDH1A1 4342/4885MAPT 768/4885
US-20190300576-A1 SOLUTION-PHASE AFFINITY SELECTION OF INHIBITORS FROM COMBINATORIAL PEPTIDE LIBRARIES TP53, MDM2, MDM4 TSHR 4784/4885ALDH1A1 4342/4885MAPT 768/4885

“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.