SCHEMBL18652764

SCHEMBL18652764

CC(C)C(=O)CCCC#N

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ SLC1A2 P43004 1/20 0.31
▸ LTA4H P09960 1/20 0.31
▸ MLYCD O95822 1/20 0.31
▸ CES2 O00748 1/20 0.31
▸ NLRP3 Q96P20 1/20 0.31
▸ DPP4 P27487 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
SCHEMBL25735749 0.88 — —
SCHEMBL5730954 0.81 LTA4H (0.31) LTA4HCES2
SCHEMBL15489317 0.79 CYP1A2 (0.45) ALDH1A1MEN1KMT2ALTA4HCES2
SCHEMBL1667685 0.79 CES2 (0.39) TSHRMEN1KMT2ALTA4HCES2
SCHEMBL17992598 0.79 CES2 (0.44) MEN1KMT2ALTA4HCES2
SCHEMBL18751717 0.76 CES2 (0.48) TSHRMEN1KMT2ALTA4HCES2
SCHEMBL9973392 0.76 CES2 (0.48) TSHRMEN1KMT2ALTA4HCES2
SCHEMBL26203820 0.76 CES2 (0.48) TSHRMEN1KMT2ALTA4HCES2
SCHEMBL9973396 0.76 CES2 (0.48) TSHRMEN1KMT2ALTA4HCES2
SCHEMBL27056796 0.76 CES2 (0.48) TSHRMEN1KMT2ALTA4HCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11358940-B2 K-Ras modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-06-14 — — US disclosed
US-20200247762-A1 K-RAS MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-08-06 — — US disclosed
EP-2899197-B1 OLIGONUCLEOTIDE AND ARTIFICIAL NUCLEOSIDE HAVING GUANIDINE BRIDGE UNIV OSAKA (JP) 2017-03-22 — — EP 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-20200247762-A1 K-RAS MODULATORS KRAS, HRAS, NRAS TSHR 2770/4885ALDH1A1 3564/4885TDP1 3974/4885
US-11358940-B2 K-Ras modulators KRAS, HRAS, NRAS TSHR 4139/4885ALDH1A1 3111/4885TDP1 4647/4885

“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.

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