SCHEMBL6697852

SCHEMBL6697852

Nc1ccccc1Cc1ccccc1CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.41
▸ HSPA5 P11021 1/20 0.41
▸ FDPS P14324 1/20 0.40
▸ SLC6A2 P23975 2/20 0.40
▸ SLC6A4 P31645 2/20 0.40
▸ CYP3A4 P08684 3/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TSHR P16473 4/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.35
▸ PDCD1 Q15116 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL9719138 0.88 CYP3A4 (0.50) ARAPOBEC3GHSPA5FDPSSLC6A2
Isatoic Anhydride SCHEMBL16252 0.85 — —
Isatoic Anhydride SCHEMBL29700086 0.85 — —
SCHEMBL29373097 0.85 CYP3A4 (0.53) ARAPOBEC3GHSPA5FDPSSLC6A2
SCHEMBL3289222 0.85 HSPA5 (0.52) APOBEC3GHSPA5SLC6A2SLC6A4CYP3A4
SCHEMBL36019 0.85 CYP3A4 (0.53) ARAPOBEC3GHSPA5FDPSSLC6A2
Isatoic Anhydride SCHEMBL2565644 0.83 APOBEC3G (0.46) ARAPOBEC3GFDPSCYP3A4ALOX15
SCHEMBL1759362 0.83 CYP3A4 (0.50) ARAPOBEC3GHSPA5FDPSSLC6A2
Ammonia Solution, Strong SCHEMBL9517239 0.83 CYP3A4 (0.50) ARAPOBEC3GHSPA5FDPSSLC6A2
Hydrochloric Acid SCHEMBL11743462 0.83 CYP3A4 (0.50) ARAPOBEC3GHSPA5FDPSSLC6A2

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-20040002493-A1 Benzoic acid derivatives and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-01-01 — — US disclosed
EP-1314719-A1 BENZOIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 — — EP 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-20040002493-A1 Benzoic acid derivatives and pharmaceutical agents comprising the same as active ingredient PTGER1, PTGER4, PTGES AR 110/4885APOBEC3G 4460/4885HSPA5 974/4885

“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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