SCHEMBL705159

SCHEMBL705159

COc1cc(C(O)O)ccc1O

nearest known ligand 0.70

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
PMP22 Q01453 1/20 0.64
SLC22A3 O75751 1/20 0.58
MAOB P27338 1/20 0.57
BCHE P06276 2/20 0.54
TYR P14679 2/20 0.54
ACHE P22303 2/20 0.54
TRPA1 O75762 1/20 0.53
CA2 P00918 2/20 0.52
NR3C1 P04150 1/20 0.52
CYP19A1 P11511 1/20 0.51
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 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
SCHEMBL7901872 0.88 TSHR (0.68) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL29466173 0.86 TSHR (0.66) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL15553306 0.86 TSHR (0.66) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL1301569 0.86 TSHR (0.66) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL20563424 0.85 TSHR (0.65) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL30343472 0.85 TSHR (0.65) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL1595549 0.85 TSHR (0.65) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL17384090 0.84 TSHR (0.64) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL15677116 0.84 TSHR (0.64) TSHRCYP3A4BLMNFKB1NPSR1
SCHEMBL16174343 0.84 TSHR (0.64) 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 186 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112980576-B Floral-scented fruit-flavored essence and preparation method and application thereof 广州芬豪香精有限公司 2022-05-10 CN claimed
CN-112980576-A Floral-scented fruit-flavored essence and preparation method and application thereof 广州芬豪香精有限公司 2021-06-18 CN claimed
CN-110551273-B Preparation method of dual-stimulus-response polyurethane micelle 齐鲁工业大学 2021-05-11 CN claimed
CN-110551273-A Preparation method of dual-stimulus-response polyurethane micelle UNIV QILU TECHNOLOGY 2019-12-10 CN claimed
EP-2423290-B1 COMPOSITION COMPRISING 1-MENTHYL (3S)-3-HYDROXYBUTANOATE FOR STIMULATING SENSE TAKASAGO PERFUMERY CO LTD (JP) 2019-05-22 EP claimed
CN-109363970-A A kind of perfume of carnation fragrance 蔡银中 2019-02-22 CN claimed
CN-109199998-A A kind of lily flower perfume for eliminating body odor 吴澄彬 2019-01-15 CN claimed
CN-105037299-B A kind of 3,4 7-oxa-bicyclo[4.1.0 base dimethoxym ethane glycol and its preparation method and use 岳阳昌德化工实业有限公司 2017-10-27 CN claimed
US-20170273323-A1 PRESERVATION OF MEAT PRODUCTS PURAC BIOCHEM B.V. (NL) 2017-09-28 US claimed
CN-105016986-B A kind of purposes of (hydroxyl of 3 alkoxy 4) cyclohexyl dimethoxym ethane glycol and its isomers 岳阳昌德化工实业有限公司 2017-07-18 CN claimed
US-20100280110-A1 (3R)-L-MENTHYL 3-HYDROXYBUTYRATE, PROCESS FOR PRODUCING THE SAME, AND SENSATE COMPOSITION COMPRISING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-11-04 US claimed
CN-101781281-A Synthesis method for optically active vanillin acetal flavor UNIV HEFEI TECHNOLOGY 2010-07-21 CN claimed
US-20090208427-A1 Vanillin Acetals and Sensory Stimulant Composition Containing the Same TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-08-20 US claimed
CN-101218222-A Vanillin acetals and sensory stimulant composition containing the same TAKASAGO PERFUMERY CO LTD (JP) 2008-07-09 CN claimed
EP-1902043-A1 VANILLIN ACETALS AND SENSORY STIMULANT COMPOSITION CONTAINING THE SAME Takasago International Corporation (JP) 2008-03-26 EP claimed
WO-2007004740-A1 VANILLIN ACETALS AND SENSORY STIMULANT COMPOSITION CONTAINING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-01-11 WO claimed
US-6239087-B1 COMPOSITIONS CONTAINING CERTAIN ACETALS OR KETALS WHICH HYDROLYZE UPON EXPOSURE OF SURFACES WASHED IN SOLUTION OF SAID COMPOSITIONS TO REDUCTION IN PH, THEREBY RELEASING FRAGRANCE CHARACTERISTIC OF ONE OR MORE OF HYDROLYSIS PRODUCTS THE PROCTER & GAMBLE COMPANY 2001-05-29 US claimed
EP-1096004-A2 Pro-fragrance compounds THE PROCTER & GAMBLE COMPANY (US) 2001-05-02 EP claimed
EP-0888439-A1 DETERGENT COMPOSITIONS CONTAINING FRAGRANCE PRECURSORS AND THE FRAGRANCE PRECURSORS THEMSELVES THE PROCTER & GAMBLE COMPANY (US) 1999-01-07 EP claimed
WO-1997034986-A1 DETERGENT COMPOSITIONS CONTAINING FRAGRANCE PRECURSORS AND THE FRAGRANCE PRECURSORS THEMSELVES THE PROCTER & GAMBLE COMPANY (US) 1997-09-25 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20100280110-A1 (3R)-L-MENTHYL 3-HYDROXYBUTYRATE, PROCESS FOR PRODUCING THE SAME, AND SENSATE COMPOSITION COMPRISING THE SAME LRBA, HCAR3, PHGDH TSHR 2751/4885CYP3A4 641/4885BLM 3644/4885
US-20090208427-A1 Vanillin Acetals and Sensory Stimulant Composition Containing the Same TRPA1, TRPV1, TAS2R5 TSHR 4182/4885CYP3A4 718/4885BLM 4511/4885

“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.