SCHEMBL16307445

SCHEMBL16307445

COc1cc(/C=C/c2cc(O)c(O)c(O)c2)cc(CO)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 6/20 0.53
▸ ABL1 P00519 8/20 0.51
▸ BCR P11274 8/20 0.51
▸ CYP1A1 P04798 5/20 0.50
▸ CYP1B1 Q16678 5/20 0.50
▸ NQO2 P16083 4/20 0.50
▸ NQO1 P15559 1/20 0.50
▸ ABCB1 P08183 6/20 0.47
▸ TTR P02766 3/20 0.47
▸ PTGS2 P35354 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ GFER P55789 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
SCHEMBL16191630 0.84 CYP1A1 (0.71) ALOX5ABL1BCRCYP1A1CYP1B1
SCHEMBL16191631 0.84 CYP1A1 (0.71) ALOX5ABL1BCRCYP1A1CYP1B1
SCHEMBL16307442 0.84 ALOX5 (0.76) ALOX5ABL1BCRCYP1A1CYP1B1
SCHEMBL10012622 0.83 CYP1A1 (0.73) ALOX5ABL1BCRCYP1A1CYP1B1
SCHEMBL16419899 0.82 PTGS2 (0.68) ALOX5ABL1BCRCYP1A1CYP1B1
SCHEMBL18650797 0.79 RELA (0.56) ALOX5ABL1BCRCYP1A1CYP1B1
SCHEMBL14924055 0.77 THRB (0.56) CYP1A1CYP1B1PTGS2KDM4EGAA
SCHEMBL16382582 0.76 BACE1 (0.53) ALOX5ABL1BCRCYP1A1CYP1B1
SCHEMBL12064219 0.76 ALDH1A1 (0.44) ALOX5ABL1BCRCYP1A1CYP1B1
SCHEMBL9927130 0.76 TUBB4A (0.75) ALOX5ABL1BCRCYP1A1CYP1B1

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-9359298-B2 Cajanine structure analogous compound, preparation method and use INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2016-06-07 — — US disclosed
US-20140371232-A1 CAJANINE STRUCTURE ANALOGOUS COMPOUND, PREPARATION METHOD AND USE INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2014-12-18 — — 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-20140371232-A1 CAJANINE STRUCTURE ANALOGOUS COMPOUND, PREPARATION METHOD AND USE ACHE, GAP43, LNPK ALOX5 2183/4885ABL1 2691/4885BCR 3956/4885

“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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