SCHEMBL12501

SCHEMBL12501

COc1cc(C)cc(OC)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.73
ACHE P22303 3/20 0.55
CYP1A1 P04798 6/20 0.52
CYP1B1 Q16678 6/20 0.52
CYP3A4 P08684 4/20 0.50
CYP1A2 P05177 3/20 0.46
CYP2E1 P05181 2/20 0.46
CYP2C8 P10632 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2A6 P11509 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP4B1 P13584 2/20 0.46
CYP2B6 P20813 2/20 0.46
CYP3A5 P20815 2/20 0.46
CYP2A7 P20853 2/20 0.46
CYP3A7 P24462 2/20 0.46
CYP2F1 P24903 2/20 0.46
CYP2C18 P33260 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2J2 P51589 2/20 0.46

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
SCHEMBL145855 0.93 ALDH1A1 (0.62) ALDH1A1ACHECYP1A1CYP1B1CYP3A4
SCHEMBL29587173 0.90 ALDH1A1 (0.59) ALDH1A1ACHECYP1A1CYP1B1CYP3A4
1,3,5-Trimethoxybenzene SCHEMBL28493 0.86 ALDH1A1 (1.00) ALDH1A1CYP1A1CYP1B1CYP3A4CYP1A2
SCHEMBL2952197 0.85 ALDH1A1 (0.53) ALDH1A1ACHECYP1A1CYP1B1CYP3A4
Hexane SCHEMBL28393141 0.84 ALDH1A1 (0.52) ALDH1A1ACHECYP1A1CYP1B1CYP3A4
SCHEMBL14120989 0.84 ALDH1A1 (0.52) ALDH1A1ACHECYP1A1CYP1B1CYP3A4
SCHEMBL4342018 0.83 ALDH1A1 (0.50) ALDH1A1ACHECYP1A1CYP1B1CYP3A4
SCHEMBL14461578 0.83 ESR1 (0.52) ALDH1A1ACHECYP1A1CYP1B1CYP3A4
SCHEMBL14446349 0.83 ALDH1A1 (0.50) ALDH1A1ACHECYP1A1CYP1B1CYP3A4
SCHEMBL16362233 0.83 CYP1A1 (0.77) CYP1A1CYP1B1CYP1A2ABL1ESR1

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 1712 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118812487-A Synthetic method and application of deuterated alternariol monomethyl ether 青岛普瑞邦生物工程有限公司 2024-10-22 CN claimed
CN-118549575-A Detection method of fingerprint spectrum of chemical components in nasosinusitis oral liquid volatile oil, establishment method of fingerprint spectrum and application of fingerprint spectrum 成都华神科技集团股份有限公司 2024-08-27 CN claimed
CN-118239883-A Preparation method of lysine-specific demethylase 1 (LSD 1) inhibitor 江苏联环药业股份有限公司 2024-06-25 CN claimed
CN-113046179-B Dendrobium officinale flower fragrance composition and preparation method and application thereof 中国科学院昆明植物研究所 2023-06-06 CN claimed
US-20230131260-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2023-04-27 US claimed
CN-114052017-B Application of 3,5-dimethoxytoluene in poisoning nematodes and nematode poisoning agent containing same 吉林农业大学 2023-03-14 CN claimed
CN-115650926-A Azole selenone functional reagent and application thereof 华南农业大学 2023-01-31 CN claimed
CN-111912923-B Method for detecting volatile components in medicinal preparation 山东步长制药股份有限公司 2022-12-02 CN claimed
US-11274083-B2 Substituted thiophenyl uracils, salts thereof and the use thereof as herbicidal agents SYNGENTA CROP PROTECTION AG (CH) 2022-03-15 US claimed
CN-114052017-A Application of 3,5-dimethoxytoluene in poisoning nematodes and nematode poisoning agent containing same 吉林农业大学 2022-02-18 CN claimed
US-20050124614-A1 3,4-Dihydroisoquinolin-1-one derivatives as inducers of apoptosis AXYS PHARMACEUTICALS, INC. (US) 2005-06-09 US claimed
WO-2004004727-A1 3,4-DIHYDROISOQUINOLIN-1-ONE DERIVATIVES AS INDUCERS OF APOPTOSIS AXYS PHARMACEUTICALS, INC. (US) 2004-01-15 WO claimed
US-6495540-B2 HEXAHYDROAZEPINE-2-ONE DERIVATIVE AS BETA-AMYLOID INHIBITOR BRISTOL - MYERS SQUIBB PHARMA COMPANY 2002-12-17 US claimed
CN-1378460-A Skin immune function controlling agents SHISEIDO CO LTD (JP) 2002-11-06 CN claimed
EP-1224944-A1 SKIN IMMUNE FUNCTION CONTROLLING AGENTS SHISEIDO COMPANY LIMITED (JP) 2002-07-24 EP claimed
US-20020010172-A1 Lactams as inhibitors of A-beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-01-24 US claimed
EP-1147079-A2 BETA-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS Bayer Aktiengesellschaft (DE) 2001-10-24 EP claimed
US-6268333-B1 BLEND WITH 1,3-DIMETHOXY-5-METHYLBENZENE; STIMULATIVE COMPONENT IS A JASMINE FORMULATION. TAKASAGO INTERNATIONAL CORPORATION (JP) 2001-07-31 US claimed
WO-2000041469-A2 β-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2000-07-20 WO claimed
US-6060453-A Immunomodulatory, anti-inflammatory, and anti-proliferative compounds: 5,6-dideoxy, 5-amino derivatives of idose and 6-deoxy, 6-amino derivatives of glucose GREENWICH PHARMACEUTICALS INCORPORATED (US) 2000-05-09 US 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 (4 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-11274083-B2 Substituted thiophenyl uracils, salts thereof and the use thereof as herbicidal agents UNG, TYMP, TYMS ALDH1A1 133/4885ACHE 1888/4885CYP1A1 752/4885
US-20050124614-A1 3,4-Dihydroisoquinolin-1-one derivatives as inducers of apoptosis CASP3, BAX, BAD ALDH1A1 1368/4885ACHE 3732/4885CYP1A1 402/4885
US-20020010172-A1 Lactams as inhibitors of A-beta protein production BACE1, APP, APH1A ALDH1A1 3399/4885ACHE 62/4885CYP1A1 2014/4885
US-20230131260-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS UNG, TYMP, TYMS ALDH1A1 170/4885ACHE 1932/4885CYP1A1 959/4885

“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.