SCHEMBL3438347

SCHEMBL3438347

O=C1CCCC/C1=C\c1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.53
▸ MAPT P10636 5/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ HTT P42858 2/20 0.53
▸ MITF O75030 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ XDH P47989 2/20 0.50
▸ TDP2 O95551 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ CASP9 P55211 1/20 0.50
▸ CASP6 P55212 1/20 0.50
▸ CASP8 Q14790 1/20 0.50
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ ACHE P22303 1/20 0.47

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
SCHEMBL3438348 1.00 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2HTTMITF
SCHEMBL30969584 0.87 MAPT (0.59) ALDH1A1MAPTSMN1; SMN2HTTMITF
SCHEMBL28158113 0.82 CYP1A2 (0.68) ALDH1A1MAPTSMN1; SMN2HTTMITF
SCHEMBL8785245 0.80 XDH (0.51) ALDH1A1MAPTSMN1; SMN2HTTMITF
SCHEMBL8784950 0.79 XDH (0.50) ALDH1A1MAPTSMN1; SMN2HTTMITF
SCHEMBL3438080 0.77 DYRK2 (0.57) ALDH1A1MAPTSMN1; SMN2HTTXDH
SCHEMBL5594057 0.77 DYRK2 (0.57) ALDH1A1MAPTSMN1; SMN2HTTXDH
SCHEMBL3438081 0.77 DYRK2 (0.57) ALDH1A1MAPTSMN1; SMN2HTTXDH
SCHEMBL13719503 0.76 DYRK2 (0.61) ALDH1A1MAPTSMN1; SMN2HTTMITF
SCHEMBL13719504 0.76 DYRK2 (0.61) ALDH1A1MAPTSMN1; SMN2HTTMITF

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104557558-B Curcumin derivate containing nitro and preparation method and application 温州医科大学 2017-06-20 — — CN disclosed
US-7807856-B2 Process for production of 2-Benzylphenol compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2010-10-05 — — US disclosed
US-20080194882-A1 Process For Production of 2-Benzylphenol Compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2008-08-14 — — US disclosed
EP-1810957-A1 METHOD FOR PRODUCING 2-BENZYLPHENOL COMPOUND Ihara Chemical Industry Co., Ltd. (JP) 2007-07-25 — — 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-20080194882-A1 Process For Production of 2-Benzylphenol Compound CYP1B1, CYP4B1, CYP1A1 ALDH1A1 1026/4885MAPT 4506/4885SMN1; SMN2 4509/4885

“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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