SCHEMBL23920316

SCHEMBL23920316

CC(C)c1cc(C(C)(C)C)c2cn[nH]c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ TRPA1 O75762 3/20 0.35
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ PLK4 O00444 1/20 0.31
▸ PAK4 O96013 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ METAP2 P50579 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ MKNK1 Q9BUB5 1/20 0.30
▸ PDPK1 O15530 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ F2 P00734 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL26665412 0.86 TRPA1 (0.38) ALDH1A1TRPA1PLK4PAK4SMN1; SMN2
SCHEMBL26661515 0.80 TRPA1 (0.39) ALDH1A1TRPA1PLK4PAK4SMN1; SMN2
SCHEMBL23920272 0.78 TRPA1 (0.38) ALDH1A1TRPA1TSHRPLK4PAK4
SCHEMBL22535187 0.74 DYRK1A (0.33) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL26665413 0.72 TRPA1 (0.34) TRPA1PLK4PAK4
SCHEMBL14602895 0.70 TRPA1 (0.37) ALDH1A1TRPA1KDM4EMEN1F2
SCHEMBL26780067 0.69 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2CYP1A2PDPK1HTT
SCHEMBL26724322 0.69 TRPA1 (0.32) TRPA1SMN1; SMN2
SCHEMBL17545821 0.67 PDPK1 (0.34) ALDH1A1TRPA1TSHRSMN1; SMN2PDPK1
SCHEMBL12120585 0.66 ALDH1A1 (0.38) ALDH1A1TRPA1CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317114-A1 SMALL MOLECULE INHIBITORS OF INTERLEUKIN-4 TRUSTEES OF BOSTON UNIVERSITY (US) 2021-10-14 — — 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-20210317114-A1 SMALL MOLECULE INHIBITORS OF INTERLEUKIN-4 IL4, IL2, IL4I1 ALDH1A1 3144/4885TRPA1 4525/4885CYP3A4 364/4885

“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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