SCHEMBL2889490

SCHEMBL2889490

Cc1c([N+](=O)[O-])ccc2c1OC(C)(C)C(O)C2NC(=O)OCCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
NAAA Q02083 7/20 0.39
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL2889371 0.87 NAAA (0.42) ALDH1A1NAAACYP3A4
SCHEMBL2889241 0.83 ALDH1A1 (0.42) ALDH1A1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL5987814 0.83 ALDH1A1 (0.42) ALDH1A1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL2889239 0.83 ALDH1A1 (0.42) ALDH1A1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL2891648 0.82 NAAA (0.39) NAAA
SCHEMBL2891153 0.81 NAAA (0.40) ALDH1A1NAAA
SCHEMBL2887606 0.80 KCNH2 (0.45) ALDH1A1NAAA
SCHEMBL2889489 0.79 NPC1 (0.45) ALDH1A1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL2883791 0.74 NAAA (0.41) NAAA
SCHEMBL2891502 0.74 NAAA (0.42) NAAA

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-7781483-B2 Benzopyran compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-24 US disclosed
US-20070299130-A1 Benzopyran Compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-12-27 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 (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-20070299130-A1 Benzopyran Compound NR0B1, CYP2B6, RYR2 ALDH1A1 2971/4885NAAA 3819/4885CYP1A2 529/4885

“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.