Sugi Predict

Sugi Predict / Compounds / SCHEMBL678366

SCHEMBL678366

SCHEMBL678366

[CH2]C(C)c1ccccc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.52
▸ ACHE P22303 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ ACP3 P15309 1/20 0.39
▸ SLC6A2 P23975 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ ADRA2A P08913 2/20 0.37
▸ ADRA2B P18089 2/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ ALOX15 P16050 1/20 0.35
▸ CYP3A4 P08684 2/20 0.35

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
SCHEMBL8319547 0.83 ESR1 (0.56) ESR1ACHETSHRACP3SLC6A2
SCHEMBL9461726 0.83 GABRA1 (0.43) ESR1ACHETSHRSLC6A2GABRA1
SCHEMBL11143755 0.81 ESR1 (0.54) ESR1ACHETSHRACP3SLC6A2
SCHEMBL1004977 0.80 TSHR (0.46) ESR1ACHETSHRSLC6A2SLC6A4
SCHEMBL1726206 0.80 ESR1 (0.48) ESR1ACHETSHRACP3SLC6A2
SCHEMBL23621891 0.79 ESR1 (0.52) ESR1ACHETSHRACP3SLC6A2
SCHEMBL7331227 0.79 ESR1 (0.52) ESR1ACHETSHRACP3SLC6A2
SCHEMBL5493731 0.78 ESR1 (0.56) ESR1ACHETSHRACP3SLC6A2
SCHEMBL146510 0.78 ESR1 (0.56) ESR1ACHETSHRACP3SLC6A2
SCHEMBL29392590 0.78 ESR1 (0.56) ESR1ACHETSHRACP3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6723743-B1 TREATING PATIENT SUFFERING FROM RHEUMATOID ARTHRITIS, PSORIASIS, BRONCHIAL ASTHMA, ALZHEIMER'S DISEASE, MYOCARDIAL INFARCTION OR ATHEROSCLEROSIS NEUROGEN CORPORATION 2004-04-20 — — US claimed
US-5908358-A SHEAR RESISTANCE ACUSHNET COMPANY (US) 1999-06-01 — — US claimed
EP-0763015-A1 SYSTEMATIC MODULAR PRODUCTION OF AMINIMIDE- AND OXAZOLONE- BASED MOLECULES HAVING AT LEAST TWO STRUCTURAL DIVERSITY ELEMENTS ARQULE, INC. (US) 1997-03-19 — — EP claimed
WO-1995032184-A1 SYSTEMATIC MODULAR PRODUCTION OF AMINIMIDE- AND OXAZOLONE- BASED MOLECULES HAVING AT LEAST TWO STRUCTURAL DIVERSITY ELEMENTS ARQULE, INC. (US) 1995-11-30 — — WO claimed
US-20230131427-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2023-04-27 — — US disclosed
US-20180133558-A1 THREE-LAYER-CORE GOLF BALL HAVING HIGHLY-NEUTRALIZED POLYMER OUTER CORE LAYER ACUSHNET COMPANY (US) 2018-05-17 — — US disclosed
US-20180133559-A1 THREE-LAYER-CORE GOLF BALL HAVING HIGHLY-NEUTRALIZED POLYMER OUTER CORE LAYER ACUSHNET COMPANY (US) 2018-05-17 — — US disclosed
US-20170209746-A1 THREE-LAYER-CORE GOLF BALL HAVING HIGHLY-NEUTRALIZED POLYMER OUTER CORE LAYER ACUSHNET COMPANY (US) 2017-07-27 — — US disclosed
US-9616296-B2 Three-layer-core golf ball having highly-neutralized polymer outer core layer ACUSHNET COMPANY (US) 2017-04-11 — — US disclosed
US-9604105-B2 Highly-neutralized thermoplastic copolymer center for improved multi-layer core golf ball ACUSHNET COMPANY (US) 2017-03-28 — — US disclosed
US-9457233-B2 Three-layer-core golf ball having highly-neutralized polymer outer core layer ACUSHNET COMPANY (US) 2016-10-04 — — US disclosed
US-20160023054-A1 HIGHLY-NEUTRALIZED THERMOPLASTIC COPOLYMER CENTER FOR IMPROVED MULTI-LAYER CORE GOLF BALL ACUSHNET COMPANY (US) 2016-01-28 — — US disclosed
WO-1995032184-A1 SYSTEMATIC MODULAR PRODUCTION OF AMINIMIDE- AND OXAZOLONE- BASED MOLECULES HAVING AT LEAST TWO STRUCTURAL DIVERSITY ELEMENTS ARQULE, INC. (US) 1995-11-30 — — WO disclosed
WO-1995018972-A1 SYSTEMATIC MODULAR PRODUCTION OF AMINIMIDE- AND OXAZOLONE-BASED MOLECULES HAVING SELECTED PROPERTIES ARQULE, INC. (US) 1995-07-13 — — WO disclosed
WO-1995018627-A1 METHOD OF MAKING POLYMERS HAVING SPECIFIC PROPERTIES ARQULE, INC. (US) 1995-07-13 — — WO disclosed
WO-1995018186-A1 MODULAR DESIGN AND SYNTHESIS OF AMINIMIDE CONTAINING MOLECULES ARQULE PARTNERS, L.P. (US) 1995-07-06 — — WO disclosed
WO-1995017903-A1 MODULAR DESIGN AND SYNTHESIS OF OXAZOLONE-DERIVED MOLECULES ARQULE PARTNERS, L.P. (US) 1995-07-06 — — WO disclosed
WO-1995011894-A1 HISTAMINE H3-RECEPTOR ANTAGONISTS AND THERAPEUTIC USES THEREOF THE UNIVERSITY OF TOLEDO (US) 1995-05-04 — — WO disclosed
EP-0633882-A1 4- 4'-PIPERIDINYL OR 3'-PIRROLIDINYL] SUBSTITUTED IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS AND THERAPEUTIC USES THEREOF THE UNIVERSITY OF TOLEDO (US) 1995-01-18 — — EP disclosed
WO-1993020061-A1 4-[4'-PIPERIDINYL OR 3'-PIRROLIDINYL] SUBSTITUTED IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS AND THERAPEUTIC USES THEREOF THE UNIVERSITY OF TOLEDO (US) 1993-10-14 — — 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 (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-20230131427-A1 FUNGICIDAL COMPOSITIONS CYP51A1, CYP4X1, CYP1B1 ESR1 4217/4885ACHE 185/4885TSHR 4252/4885

“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.