SCHEMBL7848443

SCHEMBL7848443

C/C=C/c1ccc(C=O)cc1.[NaH].[NaH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 4/20 0.52
▸ ALDH1A1 P00352 8/20 0.50
▸ LMNA P02545 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ TYR P14679 1/20 0.46
▸ CYP2A13 Q16696 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ ALDH5A1 P51649 1/20 0.46
▸ ABAT P80404 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALDH1A3 P47895 2/20 0.43
▸ ALDH3A1 P30838 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CNR2 P34972 1/20 0.41

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
SCHEMBL4146830 0.97 CYP2A6 (0.55) CYP2A6ALDH1A1LMNAKDM4ETP53
SCHEMBL2679430 0.97 CYP2A6 (0.55) CYP2A6ALDH1A1LMNAKDM4ETP53
Dimethylamine SCHEMBL6609422 0.90 CYP2A6 (0.48) CYP2A6ALDH1A1LMNAKDM4ETP53
SCHEMBL27544851 0.86 CYP3A4 (0.62) ALDH1A1LMNAKDM4ETP53CYP3A4
SCHEMBL9461723 0.83 CYP3A4 (0.65) ALDH1A1LMNAKDM4ETP53CYP3A4
SCHEMBL333123 0.83 CYP3A4 (0.65) ALDH1A1LMNAKDM4ETP53CYP3A4
SCHEMBL7527708 0.83 CYP3A4 (0.65) ALDH1A1LMNAKDM4ETP53CYP3A4
SCHEMBL9004502 0.80 CYP2A6 (0.58) CYP2A6ALDH1A1KDM4ETYRCYP2A13
SCHEMBL4195180 0.80 CYP2A6 (0.58) CYP2A6ALDH1A1KDM4ETYRCYP2A13
SCHEMBL4195177 0.80 CYP2A6 (0.58) CYP2A6ALDH1A1KDM4ETYRCYP2A13

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-6288232-B2 REACTION OF ACETYLNAPHTHALIC ANHYDRIDE AND ALDEHYDE IN THE PRESENCE OF AQUEOUS BASE AND BOILING IN THE PRESENCE OF ANILINE COMPOUND EMAGIN CORPORATION 2001-09-11 — — US disclosed
US-20010012905-A1 Synthesis of pyrazolinylnaphthalic acid derivatives EMAGIN CORPORATION 2001-08-09 — — 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-20010012905-A1 Synthesis of pyrazolinylnaphthalic acid derivatives AHR, NAT1, ARSA CYP2A6 327/4885ALDH1A1 134/4885LMNA 1182/4885

“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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