SCHEMBL688855

SCHEMBL688855

CCOC(=O)c1cccc(C(C)=O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.58
CYP4A11 Q02928 1/20 0.58
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 2/20 0.57
TSHR P16473 1/20 0.57
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
RAB9A P51151 5/20 0.55
NPC1 O15118 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
CYP2C19 P33261 1/20 0.55
POLB P06746 1/20 0.55
PKM P14618 1/20 0.55

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
SCHEMBL110276 0.92 CYP4F2 (0.65) CYP4F2CYP4A11KMT2AALDH1A1TSHR
SCHEMBL29427226 0.90 CYP4F2 (0.63) CYP4F2CYP4A11KMT2AALDH1A1TSHR
SCHEMBL28376879 0.90 CYP4F2 (0.63) CYP4F2CYP4A11KMT2AALDH1A1TSHR
SCHEMBL16955960 0.89 CYP4F2 (0.58) CYP4F2CYP4A11KMT2AALDH1A1TSHR
SCHEMBL7144600 0.85 CYP4F2 (0.58) CYP4F2CYP4A11KMT2AALDH1A1TSHR
SCHEMBL557443 0.85 CYP2C9 (0.62) CYP4F2CYP4A11KMT2AALDH1A1TSHR
SCHEMBL9016305 0.85 CYP4F2 (0.58) CYP4F2CYP4A11KMT2AALDH1A1TSHR
SCHEMBL5166543 0.85 CYP4F2 (0.58) CYP4F2CYP4A11KMT2AALDH1A1TSHR
SCHEMBL1664345 0.85 CYP4F2 (0.58) CYP4F2CYP4A11KMT2AALDH1A1TSHR
SCHEMBL16951584 0.84 CYP4F2 (0.57) CYP4F2CYP4A11KMT2AALDH1A1TSHR

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118879796-A Method for synthesizing methyl salicylate compound by taking biological enzyme as catalyst 济南大学 2024-11-01 CN claimed
CN-111233863-B Hydroxyl purine compound and application thereof 广东众生睿创生物科技有限公司 2022-10-25 CN disclosed
US-RE49128-E1 Hydroxyl purine compounds and applications thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2022-07-12 US disclosed
US-RE49128-E1 Hydroxyl purine compounds and applications thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2022-07-12 US disclosed
EP-3205652-B1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG RAYNOVENT BIOTECH CO LTD (CN) 2022-03-09 EP disclosed
CN-108348525-B Medical application of hydroxyl purine compound 广东众生睿创生物科技有限公司 2021-09-10 CN disclosed
CN-111233863-A Hydroxyl purine compound and application thereof 广东众生睿创生物科技有限公司 2020-06-05 CN disclosed
CN-105566324-B Hydroxyl purine compound and application thereof 广东众生睿创生物科技有限公司 2020-04-03 CN disclosed
CN-107001371-B Oxipurinol class compound and its application 广东众生睿创生物科技有限公司 2019-07-05 CN disclosed
US-10131655-B2 Substituted heterocyclic acetamides as kappa opioid receptor (KOR) agonists DR. REDDY'S LABORATORIES, LTD. (IN) 2018-11-20 US disclosed
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed
CN-1798737-A Composition, process of making, and medical use of substituted 4-phenyltetrahydroisoquinolines AVENTIS PHARMA GMBH (DE) 2006-07-05 CN disclosed
US-7067537-B2 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-27 US disclosed
US-6911453-B2 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-28 US disclosed
US-20050009863-A1 Composition, process of making, and medical use of substituted 4-phenyltetrahydroisoquinolines AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-13 US disclosed
US-20050009864-A1 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-13 US disclosed
US-20040072876-A1 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-15 US disclosed
US-20040044211-A1 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-03-04 US disclosed
EP-1348706-A1 SUBSTITUTED THIAZOLE DERIVATIVES BEARING 3-PYRIDYL GROUPS, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-01 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 (5 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-20040072876-A1 Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof CYP17A1, CYP21A2, HSD17B1 CYP4F2 89/4885CYP4A11 35/4885KMT2A 1349/4885
US-20050009864-A1 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them ABCB11, SLC10A1, PON1 CYP4F2 2462/4885CYP4A11 635/4885KMT2A 3056/4885
US-20050009863-A1 Composition, process of making, and medical use of substituted 4-phenyltetrahydroisoquinolines CYP27A1, CYP11B2, CYP7A1 CYP4F2 48/4885CYP4A11 9/4885KMT2A 2273/4885
US-20040044211-A1 Substituted 4-phenyltetrahydroisoquinolinium, process for their preparation, their use as a medicament, and medicament containing them ABCB11, SLC10A1, PON1 CYP4F2 2364/4885CYP4A11 619/4885KMT2A 2664/4885
US-10131655-B2 Substituted heterocyclic acetamides as kappa opioid receptor (KOR) agonists OPRK1, OPRL1, OPRD1 CYP4F2 1764/4885CYP4A11 1170/4885KMT2A 735/4885

“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.