SCHEMBL19785626

SCHEMBL19785626

C=C(C)C(C)CC(=O)NC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
FAAH O00519 1/20 0.39
MAPK1 P28482 1/20 0.39
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
RXFP1 Q9HBX9 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 5/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 2/20 0.32
VHL P40337 1/20 0.32

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
SCHEMBL24760234 0.77 FOLH1 (0.43) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL14355656 0.77 FOLH1 (0.43) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL2608299 0.75 TSHR (0.46) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL6343473 0.74 MEN1 (0.46) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL21273032 0.72
SCHEMBL6728568 0.72
SCHEMBL5692283 0.72 MAPK1 (0.45) TSHRMEN1KMT2AFAAHMAPK1
SCHEMBL6724603 0.72
SCHEMBL6724599 0.72
SCHEMBL5907620 0.72 MAPK1 (0.45) TSHRMEN1KMT2AFAAHMAPK1

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-10323127-B2 Poly(aspartic acid) derived co-polymers for a controlled release of perfuming ingredients FIRMENICH SA (CH) 2019-06-18 US disclosed
US-20180016396-A1 POLY(ASPARTIC ACID) DERIVED CO-POLYMERS FOR A CONTROLLED RELEASE OF PERFUMING INGREDIENTS FIRMENICH SA (CH) 2018-01-18 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-10323127-B2 Poly(aspartic acid) derived co-polymers for a controlled release of perfuming ingredients PHGDH, PARG, ACLY TSHR 4874/4885MEN1 4024/4885KMT2A 3471/4885

“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.