SCHEMBL5359604

SCHEMBL5359604

O=[C]Oc1occ2ccccc12

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
CYP2A6 P11509 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PARP1 P09874 1/20 0.31

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
SCHEMBL6001561 0.77 ALDH1A1 (0.38) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL28244381 0.74 ALDH1A1 (0.35) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL29529441 0.74 ALDH1A1 (0.41) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL27560293 0.73 ALDH1A1 (0.31) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL547450 0.73 PTPN1 (0.39) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL6013736 0.71 HSD17B10 (0.33) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL10944396 0.70 HSD17B10 (0.37) ALDH1A1HSD17B10TDP1
SCHEMBL221413 0.69 ALDH1A1 (0.35) ALDH1A1CYP2A6TSHRHSD17B10TDP1
SCHEMBL9564638 0.67 KMT2A (0.42) ALDH1A1HSD17B10TDP1
SCHEMBL27610609 0.67

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-7217723-B2 Substituted benzothiophenes, e.g., 7Z)-7-hydroxyimino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(4-fluorophenyl)-2-hydroxyethyl]-methyl-amide; treating allergies such as atopic dermatitis, allergic coryza, bronchial asthma, hypersensitive pneumoniac and pulmonary aspergillosis. EISAI CO., LTD. (JP) 2007-05-15 US disclosed
US-20050227959-A1 Heterocyclic compound having oxime group EISAI CO., LTD. (JP) 2005-10-13 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-20050227959-A1 Heterocyclic compound having oxime group STAT6, HRH4, HRH2 ALDH1A1 1391/4885CYP2A6 349/4885TSHR 284/4885

“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.