SCHEMBL8874737

SCHEMBL8874737

C=C=CCCCCCC=C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
TRPA1 O75762 3/20 0.43
ABCC4 O15439 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 4/20 0.39
LPAR3 Q9UBY5 2/20 0.35
LMNA P02545 1/20 0.35
LPAR2 Q9HBW0 1/20 0.35
PAOX Q6QHF9 1/20 0.33
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMOX Q9NWM0 1/20 0.32

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
SCHEMBL25171249 1.00 TSHR (0.48) TSHRTRPA1ABCC4MAPTALDH1A1
SCHEMBL25182450 1.00 TSHR (0.48) TSHRTRPA1ABCC4MAPTALDH1A1
SCHEMBL25186104 1.00 TSHR (0.48) TSHRTRPA1ABCC4MAPTALDH1A1
SCHEMBL25185275 1.00 TSHR (0.48) TSHRTRPA1ABCC4MAPTALDH1A1
SCHEMBL25185963 1.00 TSHR (0.48) TSHRTRPA1ABCC4MAPTALDH1A1
SCHEMBL25178071 1.00 TSHR (0.48) TSHRTRPA1ABCC4MAPTALDH1A1
SCHEMBL6972592 0.97
SCHEMBL8770060 0.92
SCHEMBL22232951 0.85 PAOX (0.41) PAOXSMOX
SCHEMBL5733426 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11865094-B2 Treatment and diagnosis of melanoma THE ROCKEFELLER UNIVERSITY (US) 2024-01-09 US disclosed
EP-4218935-A1 LXRBETA AGONIST FOR THE TREATMENT OF CANCER The Rockefeller University (US) 2023-08-02 EP disclosed
CN-116271053-A Treatment and diagnosis of melanoma 洛克菲勒大学 2023-06-23 CN disclosed
WO-2023085299-A1 CATIONIC LIPID 武田薬品工業株式会社 2023-05-19 WO disclosed
EP-3626309-B1 LXRBETA AGONIST FOR THE TREATMENT OF CANCER UNIV ROCKEFELLER (US) 2023-03-08 EP disclosed
US-20210220306-A1 TREATMENT AND DIAGNOSIS OF MELANOMA THE ROCKEFELLER UNIVERSITY 2021-07-22 US disclosed
US-10945978-B2 Treatment and diagnosis of melanoma THE ROCKEFELLER UNIVERSITY (US) 2021-03-16 US disclosed
US-20200230090-A1 TREATMENT AND DIAGNOSIS OF MELANOMA THE ROCKEFELLER UNIVERSITY (US) 2020-07-23 US disclosed
EP-3626309-A1 LXRBETA AGONIST FOR THE TREATMENT OF CANCER The Rockefeller University (US) 2020-03-25 EP disclosed
US-10543183-B2 Treatment and diagnosis of melanoma THE ROCKEFELLER UNIVERSITY (US) 2020-01-28 US disclosed
WO-2013130625-A1 PHOSPHO-ESTER DERIVATIVES AND USES THEREOF RIGAS BASIL (US) 2013-09-06 WO disclosed
US-20130225529-A1 PHOSPHO-ESTER DERIVATIVES AND USES THEREOF MEDICON PHARMACEUTICALS, INC. 2013-08-29 US disclosed
US-5658942-A Octahydronaphthalene oxime compounds for cholesterol synthesis inhibition SANKYO COMPANY, LIMITED (JP) 1997-08-19 US disclosed
US-5604256-A (7-(5-(1,3-DIOXANE-5YL)METHOXYIMINO-2-METHYL-8-(2-METHYLBUTYR -OXY)3-OXO-1,2,3,5,6,7,8,8A-OCTAHYDRO-1-NAPHTHYL)-3-HYDROXY-5 -OXOHEPTANOIC ACID AND SALTS SANKYO COMPANY, LIMITED (JP) 1997-02-18 US disclosed
EP-0570245-B1 Octahydronaphthalene oxime derivatives for cholesterol biosynthesis inhibition, their preparation and use SANKYO CO (JP) 1996-10-30 EP disclosed
US-5403860-A Octahydronaphthalene oxime compounds for cholesterol synthesis inhibition SANKYO COMPANY, LIMITED (JP) 1995-04-04 US disclosed
EP-0570245-A2 Octahydronaphthalene oxime derivatives for cholesterol biosynthesis inhibition, their preparation and use SANKYO COMPANY LIMITED (JP) 1993-11-18 EP disclosed
EP-0314435-B1 OCTAHYDRONAPHTHALENE OXIME DERIVATIVES FOR CHOLESTEROL SYNTHESIS INHIBITION, PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Sankyo Company Limited (JP) 1993-09-29 EP disclosed
US-4997848-A Enzyme inhibitors SANKYO COMPANY, LIMITED (JP) 1991-03-05 US disclosed
EP-0314435-A2 Octahydronaphthalene oxime derivatives for cholesterol synthesis inhibition, processes for their preparation and compositions containing them Sankyo Company Limited (JP) 1989-05-03 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 (6 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-10543183-B2 Treatment and diagnosis of melanoma EYA3, BRAF, CD99 TSHR 2766/4885TRPA1 4221/4885ABCC4 769/4885
US-10945978-B2 Treatment and diagnosis of melanoma EYA3, BRAF, CD99 TSHR 2766/4885TRPA1 4221/4885ABCC4 769/4885
US-11865094-B2 Treatment and diagnosis of melanoma EYA3, BRAF, CD99 TSHR 2766/4885TRPA1 4221/4885ABCC4 769/4885
US-20130225529-A1 PHOSPHO-ESTER DERIVATIVES AND USES THEREOF PHOSPHO1, PIK3CA, PYGB TSHR 4716/4885TRPA1 978/4885ABCC4 2976/4885
US-20210220306-A1 TREATMENT AND DIAGNOSIS OF MELANOMA EYA3, BRAF, CD99 TSHR 2766/4885TRPA1 4221/4885ABCC4 769/4885
US-20200230090-A1 TREATMENT AND DIAGNOSIS OF MELANOMA EYA3, BRAF, CD99 TSHR 2766/4885TRPA1 4221/4885ABCC4 769/4885

“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.