SCHEMBL13822639

SCHEMBL13822639

COc1cc(/C=C/c2cccc(/C=C/c3ccc(OCc4ccccc4)c(OC)c3)c2CC(C)C)ccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.56
▸ HPGD P15428 3/20 0.56
▸ HTT P42858 2/20 0.56
▸ APP P05067 7/20 0.54
▸ PTGER4 P35408 2/20 0.53
▸ PTGER3 P43115 2/20 0.53
▸ PTGER2 P43116 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.51
▸ MMP1 P03956 3/20 0.50
▸ MMP2 P08253 2/20 0.50
▸ MMP3 P08254 2/20 0.50
▸ MMP9 P14780 2/20 0.50
▸ MMP12 P39900 2/20 0.50
▸ MMP13 P45452 2/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC10 Q969S8 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
SCHEMBL19734612 0.84 APP (0.70) ALDH1A1HPGDHTTAPPPTGER4
SCHEMBL13822092 0.79 CYP1A1 (0.49) ALDH1A1HPGDHTTAPPPTGER4
SCHEMBL10069918 0.79 HPGD (0.55) ALDH1A1HPGDHTTAPPPTGER4
SCHEMBL9587052 0.79 CYP1A1 (0.65) ALDH1A1HPGDHTTAPPKDM4E
SCHEMBL9587050 0.79 CYP1A1 (0.65) ALDH1A1HPGDHTTAPPKDM4E
SCHEMBL28452059 0.78 APP (0.62) ALDH1A1HPGDHTTAPPPTGER4
SCHEMBL13991619 0.78 PDCD1 (0.68) ALDH1A1HPGDHTTAPPKDM4E
SCHEMBL3271115 0.78 APP (0.65) ALDH1A1HPGDHTTAPPKDM4E
SCHEMBL14763980 0.78 APP (0.65) ALDH1A1HPGDHTTAPPKDM4E
SCHEMBL891624 0.78 APP (0.65) ALDH1A1HPGDHTTAPPKDM4E

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-7547444-B1 Methods for controlling fungi and bacteria MYCOSOL, INC. (US) 2009-06-16 — — US disclosed
US-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA MYCOSOL, INC. 2009-05-28 — — 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-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA PNPO, BLVRB, DPM1 ALDH1A1 3438/4885HPGD 3308/4885HTT 2764/4885

“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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