SCHEMBL7901872

SCHEMBL7901872

COc1cc(C(O)C(O)c2ccc(O)c(OC)c2)ccc1O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.68
CYP3A4 P08684 1/20 0.68
BLM P54132 2/20 0.66
NFKB1 P19838 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
TUBB4A P04350 2/20 0.64
TUBB P07437 2/20 0.64
TUBA3C P0DPH7 2/20 0.64
TUBA1B P68363 2/20 0.64
TUBA4A P68366 2/20 0.64
TUBB4B P68371 2/20 0.64
TUBB3 Q13509 2/20 0.64
TUBB2A Q13885 2/20 0.64
TUBB8 Q3ZCM7 2/20 0.64
TUBA3E Q6PEY2 2/20 0.64
TUBA1A Q71U36 2/20 0.64
TUBA1C Q9BQE3 2/20 0.64
TUBB6 Q9BUF5 2/20 0.64
TUBB2B Q9BVA1 2/20 0.64
TUBB1 Q9H4B7 2/20 0.64

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
SCHEMBL17384090 0.92 TSHR (0.64) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL16174343 0.92 TSHR (0.64) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL17832173 0.91 TUBB4A (0.59) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL19728205 0.91 TSHR (0.58) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL11197069 0.90 TSHR (0.62) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL705159 0.88 TSHR (0.68) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL29466173 0.86 TSHR (0.66) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL1301569 0.86 TSHR (0.66) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL15553306 0.86 TSHR (0.66) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL12512568 0.86 TSHR (0.61) TSHRCYP3A4BLMNFKB1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194019-B1 ORGANOLEPTIC 1,2-DIOL DISUBSTITUTED WITH PHENYL, CYCLOHEXYL, OR BENZODIOXOLE RINGS; FOODS, TOBACCO; MASKING SMOKE ODORS GIVAUDAN S.A. (CH) 2001-02-27 US claimed
EP-0746986-B1 Delayed release flavourant compositions GIVAUDAN ROURE INT (CH) 2000-08-23 EP claimed
US-5904148-A Delayed release flavorant compositions GIVADUAN-ROURE (INTERNATIONAL) SA (CH) 1999-05-18 US claimed
EP-0746986-A2 Delayed release flavourant compositions GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1996-12-11 EP claimed
US-20170362152-A1 NOVEL 1,2-DIPHENYLETHYLENE GLYCOL COMPOUNDS FOR COMBATING AGING OF THE SKIN, AND COSMETIC USE THEREOF L'OREAL (FR) 2017-12-21 US disclosed
US-20170362152-A1 NOVEL 1,2-DIPHENYLETHYLENE GLYCOL COMPOUNDS FOR COMBATING AGING OF THE SKIN, AND COSMETIC USE THEREOF L'OREAL (FR) 2017-12-21 US disclosed
WO-2016092076-A1 NOVEL 1,2-DIPHENYLETHYLENE GLYCOL COMPOUNDS FOR COMBATING AGING OF THE SKIN, AND COSMETIC USE THEREOF L'OREAL (FR) 2016-06-16 WO disclosed
US-6194019-B1 ORGANOLEPTIC 1,2-DIOL DISUBSTITUTED WITH PHENYL, CYCLOHEXYL, OR BENZODIOXOLE RINGS; FOODS, TOBACCO; MASKING SMOKE ODORS GIVAUDAN S.A. (CH) 2001-02-27 US disclosed
EP-0746986-B1 Delayed release flavourant compositions GIVAUDAN ROURE INT (CH) 2000-08-23 EP disclosed
US-5921247-A Delayed release flavorant compositions GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) 1999-07-13 US disclosed
US-5904148-A Delayed release flavorant compositions GIVADUAN-ROURE (INTERNATIONAL) SA (CH) 1999-05-18 US disclosed
EP-0746986-A2 Delayed release flavourant compositions GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1996-12-11 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-20170362152-A1 NOVEL 1,2-DIPHENYLETHYLENE GLYCOL COMPOUNDS FOR COMBATING AGING OF THE SKIN, AND COSMETIC USE THEREOF GLA, DSG1, GPX1 TSHR 4480/4885CYP3A4 4481/4885BLM 2743/4885

“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.