SCHEMBL8950430

SCHEMBL8950430

C=C(C)CC(C(=O)OCC)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
THRB P10828 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 1/20 0.35
MMP8 P22894 1/20 0.35
TRPA1 O75762 1/20 0.34
GLO1 Q04760 1/20 0.34
POLB P06746 1/20 0.34
CYP2D6 P10635 1/20 0.33

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
SCHEMBL16720975 0.98 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10TSHRALOX15
SCHEMBL16720977 0.96 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10TSHRALOX15
SCHEMBL31338797 0.91 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10TSHRALOX15
SCHEMBL4151249 0.91 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10TSHRALOX15
SCHEMBL11300103 0.83 GAA (0.47) ALDH1A1LMNAHSD17B10TSHRALOX15
SCHEMBL28867352 0.83 THRB (0.42) ALDH1A1LMNAHSD17B10TSHRALOX15
SCHEMBL4759298 0.82 KMT2A (0.47) ALDH1A1LMNAHSD17B10TSHRALOX15
SCHEMBL2097011 0.81 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10TSHRALOX15
SCHEMBL7256892 0.80 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10TSHRALOX15
SCHEMBL19266457 0.80 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10TSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240148732-A1 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS SCHRÖDINGER, INC. 2024-05-09 US disclosed
EP-4284804-A1 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS Schrödinger, Inc. (US) 2023-12-06 EP disclosed
CN-117120442-A Tricyclic compounds useful for treating cancer, autoimmune disorders, and inflammatory disorders 薛定谔公司 2023-11-24 CN disclosed
WO-2022164789-A9 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS SCHRÖDINGER, INC. (US) 2023-05-25 WO disclosed
WO-2022164789-A9 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS SCHRÖDINGER, INC. (US) 2023-05-25 WO disclosed
WO-2022164789-A1 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISODERS SCHRÖDINGER, INC. (US) 2022-08-04 WO disclosed
CN-111909057-B Preparation method of cyclopentenyl aryl ketoxime compound 江南大学 2021-06-25 CN disclosed
CN-111909057-A Preparation method of cyclopentenyl aryl ketoxime compound 江南大学 2020-11-10 CN disclosed
EP-3068768-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2019-07-31 EP disclosed
EP-3068768-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2019-07-31 EP disclosed
US-5502073-A INSECTICIDES OR ANTHELMINTICS THE WELLCOME FOUNDATION (GB) 1996-03-26 US disclosed
US-5466710-A Heterobicycloalkanes as pesticidal compounds ROUSSEL UCLAF (FR) 1995-11-14 US disclosed
EP-0300797-B1 Pesticidal compounds ROUSSEL UCLAF (FR) 1995-10-04 EP disclosed
EP-0211598-B1 Pesticidal compounds WELLCOME FOUND (GB) 1993-12-15 EP disclosed
EP-0294229-B1 NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-12-02 EP disclosed
US-5116862-A Acetylenic trithiabicyclo(2.2.2)octanes THE WELLCOME FOUNDATION LIMITED (GB) 1992-05-26 US disclosed
US-5098929-A Insecticides, insect attractants, fungicides or oxidase inhibitors THE WELLCOME FOUNDATION LIMITED (GB) 1992-03-24 US disclosed
EP-0300797-A1 Pesticidal compounds ROUSSEL UCLAF (FR) 1989-01-25 EP disclosed
EP-0294229-A2 Novel heterocyclic pesticidal compounds THE WELLCOME FOUNDATION LIMITED (GB) 1988-12-07 EP disclosed
EP-0211598-A2 Pesticidal compounds ROUSSEL-UCLAF (FR) 1987-02-25 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 (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-20240148732-A1 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS MALT1, LITAF, IL2 ALDH1A1 646/4885LMNA 3812/4885HSD17B10 544/4885

“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.