SCHEMBL24835469

SCHEMBL24835469

CC(C)(C)OCc1ccc(OC(C)(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 11/20 0.40
▸ LMNA P02545 5/20 0.40
▸ HTT P42858 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ S1PR4 O95977 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ TTR P02766 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ S1PR5 Q9H228 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ PDCD1 Q15116 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37

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
SCHEMBL25986454 0.84 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL23169316 0.81 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL23176772 0.79 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL23169233 0.79 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1LMNAHTTGAA
SCHEMBL7823977 0.76 KMT2A (0.53) SMN1; SMN2ALDH1A1LMNAHTTPKM
SCHEMBL15858815 0.76 TSHR (0.56) SMN1; SMN2ALDH1A1LMNAGAAS1PR4
SCHEMBL9944267 0.76 IDO1 (0.59) ALDH1A1LMNAMAPTRAB9ANPC1
SCHEMBL1135919 0.75 HSPB1 (0.50) ALDH1A1S1PR4RAB9A
SCHEMBL14453659 0.73 MASP2 (0.54) SMN1; SMN2ALDH1A1LMNAGAAMAPT
SCHEMBL27578149 0.72 TTR (0.53) SMN1; SMN2ALDH1A1LMNAHTTGAA

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-20230001024-A1 CROSS-LINKING COMPOUNDS AND METHODS OF USE THEREOF NORTH CAROLINA STATE UNIVERSITY 2023-01-05 — — 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-20230001024-A1 CROSS-LINKING COMPOUNDS AND METHODS OF USE THEREOF AOX1, MTCL3, COL1A1 SMN1; SMN2 2650/4885ALDH1A1 74/4885LMNA 922/4885

“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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