SCHEMBL24685293

SCHEMBL24685293

CCCOCc1ccc(C#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.55
▸ LOXL2 Q9Y4K0 2/20 0.47
▸ RAB9A P51151 3/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MAOB P27338 3/20 0.46
▸ NPC1 O15118 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CHRM3 P20309 2/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA3 P07451 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40

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
SCHEMBL509067 0.89 CYP2A6 (0.52) CYP2A6LOXL2RAB9ATSHRHSD17B10
SCHEMBL1534961 0.84 CYP2A6 (0.59) CYP2A6LOXL2RAB9ATSHRHSD17B10
SCHEMBL3401155 0.83 LOXL2 (0.56) CYP2A6LOXL2RAB9ATSHRMAOB
SCHEMBL648284 0.83 TSHR (0.43) TSHRNPC1L3MBTL1ALDH1A1CA2
SCHEMBL1680712 0.83 CYP2A6 (0.53) CYP2A6LOXL2RAB9ATSHRHSD17B10
SCHEMBL26582580 0.81 HDAC8 (0.33) CYP2A6TSHRL3MBTL1ALDH1A1
SCHEMBL23014982 0.81 LOXL2 (0.50) CYP2A6LOXL2RAB9AMAOBNPC1
SCHEMBL4223936 0.81 CHRM3 (0.48) CYP2A6LOXL2RAB9AHSD17B10MAOB
SCHEMBL1427951 0.81 MAOB (0.46) CYP2A6LOXL2RAB9AMAOBNPC1
SCHEMBL24942155 0.80 HRH3 (0.47) CYP2A6LOXL2RAB9ATSHRMAOB

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-20220290140-A1 TRANS-CYCLOOCTENE LABELED ANTISENSE OLIGONUCLEOTIDES, RADIO LABELED TETRAZINE AND METHODS BIOGEN MA INC. 2022-09-15 — — US disclosed
CN-1244202-A Tricyclic erythromycin derivatives ABBOTT LAB (US) 2000-02-09 — — CN 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-20220290140-A1 TRANS-CYCLOOCTENE LABELED ANTISENSE OLIGONUCLEOTIDES, RADIO LABELED TETRAZINE AND METHODS TK1, TTR, TALDO1 CYP2A6 1880/4885LOXL2 2901/4885RAB9A 4327/4885

“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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