SCHEMBL11957899

SCHEMBL11957899

COc1cc(N=O)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.52
▸ CYP3A4 P08684 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ PTGS2 P35354 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP1A1 P04798 1/20 0.43
▸ CYP1B1 Q16678 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ G6PD P11413 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ HK1 P19367 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MPI P34949 1/20 0.42

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
SCHEMBL2097198 0.78 ACHE (0.54) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL15159928 0.76 ACHE (0.52) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL15432459 0.76 ACHE (0.52) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL374491 0.76 CYP3A4 (0.47) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL5525499 0.76 ACHE (0.46) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL279706 0.74 HTR3E (0.59) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL15728169 0.73 CYP1A1 (0.49) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL14377173 0.73 TUBB4A (0.50) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL14608745 0.73 MEN1 (0.37) CYP3A4MAPTPTGS2ALDH1A1KDM4E
SCHEMBL28226971 0.73 GAA (0.44) CYP3A4MAPTCA9PTGS2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114702479-A Preparation method of furfural-based color-changing dye 四川大学 2022-07-05 — — CN claimed
CN-114702479-A Preparation method of furfural-based color-changing dye 四川大学 2022-07-05 — — CN disclosed
US-8236805-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2012-08-07 — — US disclosed
US-7700597-B2 Substituted piperazines as CB1 antagonists SCHERING CORPORATION (US) 2010-04-20 — — US disclosed
US-7700597-B2 Substituted piperazines as CB1 antagonists SCHERING CORPORATION (US) 2010-04-20 — — US disclosed
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2010-02-04 — — US disclosed
EP-1218360-B1 TRIAZINE KINASE INHIBITORS AMGEN INC (US) 2008-05-28 — — EP disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 — — 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 (2 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-20100029607-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 ACHE 1257/4885CYP3A4 968/4885MAPT 1481/4885
US-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 ACHE 2998/4885CYP3A4 696/4885MAPT 4184/4885

“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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