SCHEMBL4742598

SCHEMBL4742598

CC(=O)C1CCc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 5/20 0.58
PDPK1 O15530 1/20 0.47
KCNQ2 O43526 1/20 0.47
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
ANO1 Q5XXA6 2/20 0.43
IDO1 P14902 2/20 0.43
CRBN Q96SW2 1/20 0.43
ACP3 P15309 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42

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
SCHEMBL8848989 1.00 PIN1 (0.58) PIN1PDPK1KCNQ2MTNR1AMTNR1B
SCHEMBL2448483 0.89 HTT (0.49) PIN1TAS1R3TAS1R1TAS1R2
SCHEMBL31262315 0.89 HTT (0.49) PIN1TAS1R3TAS1R1TAS1R2
SCHEMBL4830828 0.84 PIN1 (0.62) PIN1PDPK1KCNQ2IDO1CRBN
SCHEMBL7681059 0.84 PIN1 (0.54) PIN1PDPK1KCNQ2MTNR1AMTNR1B
SCHEMBL1400973 0.82 PIN1 (0.60) PIN1PDPK1KCNQ2IDO1ACP3
SCHEMBL12431131 0.82 PIN1 (0.60) PIN1PDPK1KCNQ2IDO1ACP3
SCHEMBL2790690 0.82 PIN1 (0.60) PIN1PDPK1KCNQ2IDO1ACP3
SCHEMBL907688 0.82 PIN1 (0.60) PIN1PDPK1KCNQ2IDO1ACP3
SCHEMBL1567245 0.82 PIN1 (0.60) PIN1PDPK1KCNQ2ANO1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118647270-A Novel derivatives of non-coding amino acids and their use as herbicides 福提费斯特有限公司 2024-09-13 CN claimed
WO-2023131951-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2023-07-13 WO claimed
WO-1993003033-A1 CARBONATE-SUBSTITUTED IMIDAZO[4,5-d] PYRIDAZINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G. D. SEARLE & CO. (US) 1993-02-18 WO claimed
CN-111936471-B Non-fused thiophene derivatives and uses thereof 埃尼奥制药公司 2024-10-29 CN disclosed
US-20240284907-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2024-08-29 US disclosed
EP-4369933-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES Fortephest Ltd. (IL) 2024-05-22 EP disclosed
WO-2023131951-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2023-07-13 WO disclosed
WO-2023286057-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD (IL) 2023-01-19 WO disclosed
EP-3749650-A1 NON-FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO Pharma (FR) 2020-12-16 EP disclosed
CN-110892327-A Improved method for making flexographic printing plates 麦克德米德图像方案股份有限公司 2020-03-17 CN disclosed
WO-2019154956-A1 NON-FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO PHARMA (FR) 2019-08-15 WO disclosed
US-4493790-A Organoleptic use of isopropyl tetramethylindanes INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-01-15 US disclosed
US-4466908-A Isopropyl tetramethylindan musk, organoleptic use thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-08-21 US disclosed
US-4332970-A Acetyl hydrindacenes, acetyl indanes, mixtures of same, processes for preparing same and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-06-01 US disclosed
US-4305967-A Flavoring with a mixture of acetyl hydrindacenes and acetyl indanes INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-12-15 US disclosed
US-4305411-A FLAVORED SMOKING TOBACCO INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-12-15 US disclosed
US-4289661-A PREPARATION FROM CUMENE AND ISOPRENE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-09-15 US disclosed
US-4284819-A FOOD FLAVORS, PERFUMES, TOBACCO FLAVORS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-08-18 US disclosed
US-4260511-A DETERGENTS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-04-07 US disclosed
US-4209543-A Flavoring with a mixture of acetyl hydrindacenes INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-06-24 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-20240284907-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES DDT, DDC, GLUL PIN1 304/4885PDPK1 1462/4885KCNQ2 2405/4885

“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.