SCHEMBL1748666

SCHEMBL1748666

CCOc1cc(OC)ccc1C=O

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.71
TRIM24 O15164 1/20 0.54
TYR P14679 1/20 0.54
TRIM33 Q9UPN9 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
CYP1A2 P05177 6/20 0.50
ERN1 O75460 4/20 0.50
CYP1A1 P04798 4/20 0.50
CYP1B1 Q16678 4/20 0.50
LMNA P02545 2/20 0.49
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
KDM4E B2RXH2 2/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NFE2L2 Q16236 1/20 0.45
HDAC8 Q9BY41 2/20 0.44

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
SCHEMBL1125718 0.89 ALDH1A1 (0.55) ALDH1A1L3MBTL1ERN1LMNAKDM4E
SCHEMBL20892674 0.87 ALDH1A1 (0.67) ALDH1A1TRIM24TYRTRIM33L3MBTL1
SCHEMBL13191485 0.87 ALDH1A1 (0.67) ALDH1A1TRIM24TYRTRIM33L3MBTL1
SCHEMBL8447028 0.86 ALDH1A1 (0.71) ALDH1A1TRIM24TYRTRIM33L3MBTL1
SCHEMBL702232 0.86 ALDH1A1 (0.71) ALDH1A1TRIM24TYRTRIM33L3MBTL1
SCHEMBL20488634 0.86 KDM4E (0.59) ALDH1A1TRIM24TYRTRIM33CYP1A2
SCHEMBL4623519 0.85 CYP1A2 (0.54) ALDH1A1CYP1A2CYP1A1CYP1B1CYP2C19
SCHEMBL4623521 0.85 CYP1A2 (0.54) ALDH1A1CYP1A2CYP1A1CYP1B1CYP2C19
SCHEMBL3209556 0.85 ALDH1A1 (0.69) ALDH1A1TRIM24TYRTRIM33L3MBTL1
SCHEMBL28518106 0.84 ALDH1A1 (0.51) ALDH1A1CYP1A2ERN1LMNACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114746069-A Three-step multi-tone hair dyeing method 汉高股份有限及两合公司 2022-07-12 CN claimed
CN-114173750-A Improving the stability of agents for treating keratin materials 汉高股份有限及两合公司 2022-03-11 CN disclosed
CN-113185391-A Method for synthesizing isovanillin 浙江优创材料科技股份有限公司 2021-07-30 CN disclosed
US-20200068928-A1 METHOD FOR MODULATING THE FLAVOR PROFILE OF A FOOD INTERNATIONAL FLAVORS & FRAGRANCES INC. 2020-03-05 US disclosed
US-7968568-B2 [1-(4-chloro-3-ethoxy-benzyl)-piperidin-4-yl]-(2-chloro-pyrimidin-4-yl)-amine; somatostatin receptor subtype 5 (SSTR5) antagonists; diabetes mellitus HOFFMANN-LA ROCHE INC. (US) 2011-06-28 US disclosed
US-20100069413-A1 Pyrimidine and Quinazoline Derivatives CHRIST ANDREAS D 2010-03-18 US disclosed
US-7674804-B2 Pyrimidine and quinazoline derivatives as SST5 modulators HOFFMANN-LA ROCHE INC. (US) 2010-03-09 US disclosed
EP-2155751-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2010-02-24 EP disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 WO disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 WO disclosed
US-20080045550-A1 Pyrimidine and quinazoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 US disclosed
EP-1307193-A1 AGONISTS OF FOLLICLE STIMULATING HORMONE ACTIVITY Affymax Research Institute (US) 2003-05-07 EP disclosed
WO-2002009706-A1 AGONISTS OF FOLLICLE STIMULATING HORMONE ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2002-02-07 WO 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 (3 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-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 ALDH1A1 245/4885TRIM24 4558/4885TYR 329/4885
US-20100069413-A1 Pyrimidine and Quinazoline Derivatives SSTR5, SSTR3, NPY5R ALDH1A1 2667/4885TRIM24 4731/4885TYR 1000/4885
US-20080045550-A1 Pyrimidine and quinazoline derivatives SSTR5, SSTR3, NPY5R ALDH1A1 2667/4885TRIM24 4731/4885TYR 1000/4885

“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.