SCHEMBL4376445

SCHEMBL4376445

Cc1ccc(CC(C)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
IDO1 P14902 1/20 0.44
ACACB O00763 1/20 0.43
TAAR1 Q96RJ0 4/20 0.41
SLC6A2 P23975 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
ACHE P22303 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PSMB8 P28062 1/20 0.40
PSMB5 P28074 1/20 0.40
HCRTR2 O43614 1/20 0.40
CTBP2 P56545 1/20 0.39

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
SCHEMBL29202576 1.00 HPGD (0.46) HPGDIDO1ACACBTAAR1SLC6A2
SCHEMBL13862138 1.00 HPGD (0.46) HPGDIDO1ACACBTAAR1SLC6A2
SCHEMBL196800 0.89 TAAR1 (0.48) TAAR1SLC6A2ESR1ESR2
SCHEMBL11040104 0.88 HPGD (0.46) HPGDACACBTDP1PSMB8PSMB5
SCHEMBL115445 0.83 TRPA1 (0.45) HPGDIDO1ACACBTAAR1SLC6A2
SCHEMBL9148931 0.82 PTGS1 (0.52) ESR1
SCHEMBL8985983 0.82 TAAR1 (0.43) HPGDTAAR1SLC6A2CYP1A2ESR1
SCHEMBL30556750 0.82 IDO1 (0.46) IDO1ACACBTAAR1CYP1A2CYP2A6
SCHEMBL8773034 0.82 IDO1 (0.46) IDO1ACACBTAAR1SLC6A2CYP1A2
SCHEMBL1336531 0.82 ALDH1A1 (0.46) TAAR1SLC6A2CYP1A2ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924256-A Method for generating chiral alcohol by aryl bromide reaction 合肥工业大学 2024-04-26 CN disclosed
CN-114716296-B Efficient halogenation synthesis method of alkyl halide 润药仁智(北京)科技有限公司 2023-12-12 CN disclosed
US-20230167057-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-06-01 US disclosed
CN-114634432-B High-efficiency synthesis method of alkyl aryl thioether compound 润药仁智(北京)科技有限公司 2023-03-14 CN disclosed
CN-115448882-A Benzoheterocyclic compounds useful for the treatment of EP2, EP4 receptor mediated diseases 武汉人福创新药物研发中心有限公司 2022-12-09 CN disclosed
CN-114716296-A Efficient halogenation synthesis method of alkyl halide 北京大学 2022-07-08 CN disclosed
CN-114634432-A High-efficiency synthesis method of alkyl aryl thioether compound 北京大学 2022-06-17 CN disclosed
CN-109970826-A Glucoside compounds and preparation method thereof containing tertiary base carbon atom 上海应用技术大学 2019-07-05 CN disclosed
CN-106061971-B Pyrrolidinyl sulfone derivatives and their use as ROR gamma modulators 百时美施贵宝公司 2019-03-12 CN disclosed
WO-2018044996-A1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2018-03-08 WO disclosed
US-4250194-A Flavoring with geranyl butyl ether INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-02-10 US disclosed
US-4246287-A LEMON FLAVOR INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-01-20 US disclosed
US-4223046-A ROOT BEER BEVERAGE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-09-16 US disclosed
US-4173543-A COPPER OR ZINC CYSTINE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-11-06 US disclosed
US-4173711-A ORGANOLEPTIC INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-11-06 US disclosed
US-4169073-A 3(2-Chloroalkyloxy)2 (10)-pinene perfumes compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-09-25 US disclosed
US-4163068-A Flavoring with terpenyl ethers INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-07-31 US disclosed
US-4131687-A Flavoring with terpenyl ethers INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-12-26 US disclosed
US-4000315-A Cyclopropane esters for the control of mites ZOECON CORPORATION (US) 1976-12-28 US disclosed
US-3957849-A MITICIDES ZOECON CORPORATION (US) 1976-05-18 US 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-20230167057-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 HPGD 1489/4885IDO1 1263/4885ACACB 3881/4885

“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.