SCHEMBL176980

SCHEMBL176980

CCCCCCCCc1ccc(CO)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.69
ADRA2A P08913 2/20 0.69
ADORA3 P0DMS8 2/20 0.69
TACR2 P21452 2/20 0.69
SLC6A2 P23975 2/20 0.69
SLC6A4 P31645 2/20 0.69
SLC6A3 Q01959 2/20 0.69
ALDH1A1 P00352 2/20 0.69
KDM4E B2RXH2 1/20 0.69
LMNA P02545 1/20 0.69
SHBG P04278 1/20 0.69
TP53 P04637 1/20 0.69
CYP3A4 P08684 1/20 0.69
HSPD1 P10809 1/20 0.69
ADRB3 P13945 1/20 0.69
HTR2C P28335 1/20 0.69
HSPE1 P61604 1/20 0.69
HIF1A Q16665 1/20 0.69
TST Q16762 1/20 0.69
HSD17B10 Q99714 1/20 0.69

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
SCHEMBL7769065 1.00 ESR1 (0.69) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL359311 1.00 ESR1 (0.69) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL359592 1.00 ESR1 (0.69) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL358879 1.00 ESR1 (0.69) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL4297552 1.00 ESR1 (0.69) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL359570 1.00 ESR1 (0.69) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9600021 1.00 ESR1 (0.69) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL11031408 1.00 ESR1 (0.69) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL357024 0.98 ESR1 (0.65) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL24672063 0.94 RARB (0.64) ESR1ADRA2AADORA3TACR2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4613622-A Sebosuppressive preparations containing benzyl alcohol derivatives HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1986-09-23 US claimed
US-12037440-B2 Highly soluble bis-borate as binuclear co-catalysts for olefin polymerization DOW GLOBAL TECHNOLOGIES LLC (US) 2024-07-16 US disclosed
US-12037440-B2 Highly soluble bis-borate as binuclear co-catalysts for olefin polymerization DOW GLOBAL TECHNOLOGIES LLC (US) 2024-07-16 US disclosed
CN-113387055-B Film, method for producing film, and bag 住友化学株式会社 2024-06-07 CN disclosed
CN-117425653-A Method for producing bipyridine derivative, method for producing macrocyclic compound, method for producing metal complex containing macrocyclic compound as ligand, metal complex, electrode for air battery, and air battery 住友化学株式会社 2024-01-19 CN disclosed
US-11787880-B2 Highly soluble alkyl substituted carbenium borate as co-catalysts for olefin polymerizations DOW GLOBAL TECHNOLOGIES LLC (US) 2023-10-17 US disclosed
US-11780941-B2 Highly branched, low molecular weight polyolefins and methods for their production NORTHWESTERN UNIVERSITY (US) 2023-10-10 US disclosed
US-11643533-B2 Film, method of producing film, and bag SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-05-09 US disclosed
CN-110352213-B Film 住友化学株式会社 2022-09-09 CN disclosed
US-11401361-B2 Curable composition for imprinting, cured product, pattern forming method, lithography method, pattern, mask for lithography, and polymerizable composition for imprinting FUJIFILM CORPORATION (JP) 2022-08-02 US disclosed
EP-0497297-A2 Liquid crystal compound and liquid crystal display device MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1992-08-05 EP disclosed
EP-0225602-B1 ALPHA-HYDROXYTHIO ETHERS CIBA-GEIGY AG (CH) 1991-10-09 EP disclosed
EP-0141143-B1 SEBOSUPPRESSIVE COSMETIC COMPOSITIONS CONTAINING BENZYL ALCOHOL DERIVATIVES Henkel Kommanditgesellschaft auf Aktien (DE) 1990-01-31 EP disclosed
US-4808572-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1989-02-28 US disclosed
EP-0123543-B1 LEUKOTRIENE ANTAGONISTS, THEIR PRODUCTION AND USE AND COMPOSITIONS CONTAINING THEM MERCK FROSST CANADA INC. (CA) 1988-02-03 EP disclosed
EP-0225602-A2 Alpha-hydroxythio ethers CIBA-GEIGY AG (CH) 1987-06-16 EP disclosed
US-4613622-A Sebosuppressive preparations containing benzyl alcohol derivatives HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1986-09-23 US disclosed
US-4609744-A 4-oxo-benzopyran carboxylic acids MERCK FROSST CANADA INC. (CA) 1986-09-02 US disclosed
EP-0123543-A1 Leukotriene antagonists, their production and use and compositions containing them MERCK FROSST CANADA INC. (CA) 1984-10-31 EP disclosed
US-4024144-A SULFONIC ACID GROUPS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-17 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-11787880-B2 Highly soluble alkyl substituted carbenium borate as co-catalysts for olefin polymerizations YAP1, MCM4, COPS4 ESR1 706/4885ADRA2A 4136/4885ADORA3 3427/4885

“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.