SCHEMBL3438413

SCHEMBL3438413

COc1ccc(C=C2CCCCC2=O)c(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.71
▸ GAA P10253 3/20 0.71
▸ MEN1 O00255 2/20 0.71
▸ KMT2A Q03164 2/20 0.71
▸ NFE2L2 Q16236 2/20 0.59
▸ NPSR1 Q6W5P4 2/20 0.58
▸ HPGD P15428 2/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ EGFR P00533 2/20 0.57
▸ MAOB P27338 1/20 0.52
▸ CYP1A1 P04798 3/20 0.51
▸ CYP1A2 P05177 3/20 0.51
▸ CYP1B1 Q16678 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ PAX8 Q06710 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CHRNA1 P02708 1/20 0.50

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
SCHEMBL3438410 1.00 ALDH1A1 (0.71) ALDH1A1GAAMEN1KMT2ANFE2L2
SCHEMBL1523926 0.97 ALDH1A1 (0.71) ALDH1A1GAAMEN1KMT2ANFE2L2
SCHEMBL1523927 0.97 ALDH1A1 (0.71) ALDH1A1GAAMEN1KMT2ANFE2L2
SCHEMBL1524392 0.81 NFE2L2 (0.55) ALDH1A1GAAMEN1KMT2ANFE2L2
SCHEMBL1524393 0.81 NFE2L2 (0.55) ALDH1A1GAAMEN1KMT2ANFE2L2
SCHEMBL3438149 0.80 EGFR (0.59) ALDH1A1GAAMEN1KMT2ANFE2L2
SCHEMBL3438150 0.80 EGFR (0.59) ALDH1A1GAAMEN1KMT2ANFE2L2
SCHEMBL624342 0.78 CRHBP (0.76) ALDH1A1MEN1KMT2ANFE2L2NPSR1
SCHEMBL1524071 0.77 ALDH1A1 (0.81) ALDH1A1GAAMEN1KMT2ANFE2L2
SCHEMBL1524072 0.77 ALDH1A1 (0.81) ALDH1A1GAAMEN1KMT2ANFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1026/4885GAA 3701/4885MEN1 3844/4885

“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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