SCHEMBL4585143

SCHEMBL4585143

CCC=CCCCCC(CC)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ ALDH1A1 P00352 6/20 0.47
▸ CYP19A1 P11511 4/20 0.47
▸ MAPT P10636 4/20 0.47
▸ F7 P08709 3/20 0.47
▸ F3 P13726 3/20 0.47
▸ OXER1 Q8TDS5 3/20 0.47
▸ PPARG P37231 3/20 0.47
▸ FFAR1 O14842 3/20 0.47
▸ ALOX15 P16050 3/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ PTGS1 P23219 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ PPARD Q03181 2/20 0.47
▸ PPARA Q07869 2/20 0.47
▸ FFAR4 Q5NUL3 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ LMNA P02545 2/20 0.47

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
SCHEMBL4585139 1.00 CA2 (0.57) CA2MAPK1ALDH1A1CYP19A1MAPT
SCHEMBL19856371 0.98 CA2 (0.55) CA2MAPK1ALDH1A1CYP19A1MAPT
SCHEMBL28945181 0.98 CA2 (0.55) CA2MAPK1ALDH1A1CYP19A1MAPT
SCHEMBL3216717 0.95 ALDH1A1 (0.56) CA2MAPK1ALDH1A1CYP19A1MAPT
SCHEMBL4683751 0.94 CA2 (0.59) CA2MAPK1ALDH1A1CYP19A1MAPT
SCHEMBL1027173 0.94 CA2 (0.59) CA2MAPK1ALDH1A1CYP19A1MAPT
SCHEMBL122341 0.93 ALDH1A1 (0.58) CA2MAPK1ALDH1A1CYP19A1MAPT
SCHEMBL28783283 0.93 ALDH1A1 (0.58) CA2MAPK1ALDH1A1CYP19A1MAPT
SCHEMBL3205072 0.93 ALDH1A1 (0.58) CA2MAPK1ALDH1A1CYP19A1MAPT
Ammonia Solution, Strong SCHEMBL3228210 0.93 ALDH1A1 (0.54) CA2MAPK1ALDH1A1CYP19A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539766-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2005-06-15 — — EP claimed
WO-2003104236-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-18 — — WO claimed
CN-113412256-B Herbicidal compounds 先正达农作物保护股份公司 2024-01-19 — — CN disclosed
CN-111868034-B Spirocyclic cyclohexanedione derivatives as herbicides 先正达参股股份有限公司 2023-12-01 — — CN disclosed
US-20230143532-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. (US) 2023-05-11 — — US disclosed
US-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 — — US disclosed
CN-109897038-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维爱尔兰无限公司 2022-04-05 — — CN disclosed
CN-114080385-A Herbicidal compounds 先正达农作物保护股份公司 2022-02-22 — — CN disclosed
CN-113950477-A Modulators of progranulin and methods of use thereof 阿库达医疗公司 2022-01-18 — — CN disclosed
CN-113412256-A Herbicidal compounds 先正达农作物保护股份公司 2021-09-17 — — CN disclosed
CN-108175749-B Melt-extruded solid dispersions containing apoptosis-inducing agents 艾伯维爱尔兰无限公司 2021-09-10 — — CN disclosed
CN-106008503-B Spirocyclic aryl sulfones as protein kinase inhibitors 齐鲁制药有限公司 2020-09-01 — — CN disclosed
EP-1539766-B1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 — — EP disclosed
EP-1689493-A4 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2008-04-23 — — EP disclosed
US-20070149502-A1 SPIROCYCLIC ANTI-MIGRAINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 — — US disclosed
EP-1689493-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Pharma Company (US) 2006-08-16 — — EP disclosed
WO-2005065779-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-21 — — WO disclosed
EP-1539766-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2005-06-15 — — EP disclosed
US-20040063735-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 — — US disclosed
WO-2003104236-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-18 — — 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 (4 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-20040063735-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR CA2 1090/4885MAPK1 656/4885ALDH1A1 2525/4885
US-20230143532-A1 APOPTOSIS INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 CA2 2479/4885MAPK1 2543/4885ALDH1A1 4238/4885
US-20070149502-A1 SPIROCYCLIC ANTI-MIGRAINE COMPOUNDS CALCRL, CALCR, CALCA CA2 761/4885MAPK1 1240/4885ALDH1A1 2186/4885
US-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GBA2, CLN6 CA2 2692/4885MAPK1 4383/4885ALDH1A1 1559/4885

“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.

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