SCHEMBL24106729

SCHEMBL24106729

C=C/C=C\C(=C/C)N(c1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PKM P14618 1/20 0.33

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
SCHEMBL19311818 0.95 ALDH1A1 (0.36) ALDH1A1LMNATP53ESR1ESR2
SCHEMBL18400709 0.87 NPSR1 (0.38) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL20967930 0.84 ALDH1A1 (0.36) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL22784070 0.82 ALDH1A1 (0.36) ALDH1A1LMNASMN1; SMN2HTTNPSR1
SCHEMBL25894335 0.82 PTGIR (0.36) ALDH1A1LMNATP53HTTNPC1
SCHEMBL23099984 0.81 MEN1 (0.40) ALDH1A1LMNATP53ESR1ESR2
SCHEMBL24301563 0.80 RELA (0.45) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL23315073 0.80 TRPM8 (0.31) NPSR1
SCHEMBL19836373 0.80 ALDH1A1 (0.33) ALDH1A1NPSR1L3MBTL1KDM4ECYP3A4
SCHEMBL13709429 0.79 ALDH1A1 (0.36) ALDH1A1LMNATP53ESR1ESR2

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-20210387994-A1 SOLVENT-FREE CROSS-COUPLING REACTION, AND PRODUCTION METHOD USING SAID REACTION NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2021-12-16 — — 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-20210387994-A1 SOLVENT-FREE CROSS-COUPLING REACTION, AND PRODUCTION METHOD USING SAID REACTION MCCC2, CTRC, DDC ALDH1A1 2438/4885LMNA 2073/4885TP53 3561/4885

“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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