SCHEMBL398718

SCHEMBL398718

CCCCCCC(Cl)(Cl)CO

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
FDPS P14324 10/20 0.43
SMPD1 P17405 2/20 0.43
GGPS1 O95749 6/20 0.41
THRB P10828 1/20 0.40

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
SCHEMBL5862701 1.00 TSHR (0.43) TSHRALDH1A1LMNAHSD17B10MEN1
Methyl Alcohol SCHEMBL9146394 0.98 FDPS (0.42) TSHRALDH1A1LMNAHSD17B10MEN1
SCHEMBL2454205 0.97 FDPS (0.41) TSHRALDH1A1LMNAHSD17B10MEN1
SCHEMBL1929155 0.90
SCHEMBL9223093 0.89 LMNA (0.39) TSHRALDH1A1LMNAHSD17B10MEN1
SCHEMBL1639544 0.84 TSHR (0.50) TSHRALDH1A1FDPSSMPD1GGPS1
SCHEMBL3346971 0.84 TSHR (0.50) TSHRALDH1A1FDPSSMPD1GGPS1
SCHEMBL7508589 0.83 LMNA (0.62) TSHRALDH1A1LMNAHSD17B10MEN1
SCHEMBL1098322 0.83 LMNA (0.48) TSHRALDH1A1LMNAHSD17B10MEN1
SCHEMBL2166623 0.83 LMNA (0.48) TSHRALDH1A1LMNAHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110698402-B Separation method of ouabain and 12-epi-ouabain 川北医学院 2023-05-30 CN claimed
CN-110698402-A Method for separating ouwu alkali and 12-epi-ouwu alkali 川北医学院 2020-01-17 CN claimed
US-4978744-A Synthesis of dolastatin 10 ARIZONA BOARD OF REGENTS (US) 1990-12-18 US claimed
CN-113166140-B CDK8/19 inhibitors 拜奥卡德联合股份公司 2024-06-14 CN disclosed
WO-2023237795-A1 USE OF THE (+)-ELATOL COMPOUND FOR TREATING OR PREVENTING A NAEGLERIA FOWLERI INFECTION UNIVERSIDAD DE LA LAGUNA (ES) 2023-12-14 WO disclosed
US-11840531-B2 CDK8/19 inhibitors JOINT STOCK COMPANY "BIOCAD" (RU) 2023-12-12 US disclosed
CN-110698402-B Separation method of ouabain and 12-epi-ouabain 川北医学院 2023-05-30 CN disclosed
CN-110698402-B Separation method of ouabain and 12-epi-ouabain 川北医学院 2023-05-30 CN disclosed
CN-114316102-A Alkoxy magnesium carrier, polyethylene catalyst and preparation method thereof 北京吉海川科技发展有限公司 2022-04-12 CN disclosed
EP-3878022-A1 METHOD FOR FORMING AN ORGANIC ELEMENT OF AN ELECTRONIC DEVICE Merck Patent GmbH (DE) 2021-09-15 EP disclosed
US-20210246138-A1 CDK8/19 INHIBITORS JOINT STOCK COMPANY "BIOCAD" (RU) 2021-08-12 US disclosed
US-4654343-A USEFUL AS ANXIOLYTIC OR ANTIEPILEPTIC AGENTS AS WELL AS SEDATIVE-HYPNOTIC AND SKELETAL MUSCLE RELAXANT AGENTS AMERICAN CYANAMID COMPANY (US) 1987-03-31 US disclosed
EP-0077536-B1 2'-SUBSTITUTED-SPIRO(BENZOFURAN-2(3H),1'-CYCLOALKANES), A PROCESS FOR PREPARING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1986-07-16 EP disclosed
US-4594435-A ANTIDEPRESSANTS; ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1986-06-10 US disclosed
US-4517311-A 2'-Substituted-spiro[benzofuran-2(3H),1'-cycloalkanes] and their analgesic and anti-depressant compositions HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-05-14 US disclosed
US-4509855-A Dual liquid and gas chromatograph system THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1985-04-09 US disclosed
EP-0063858-B1 LEUKOTRIENE ANALOGUES, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS Lilly Industries Limited (GB) 1985-03-20 EP disclosed
US-4470699-A Micro-column plasma emission liquid chromatograph THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1984-09-11 US disclosed
EP-0063858-A1 Leukotriene analogues, their preparation and use in pharmaceutical compositions Lilly Industries Limited (GB) 1982-11-03 EP disclosed
US-4226856-A ANTITUMOR AGENTS UNIVERSITY PATENTS, INC. (US) 1980-10-07 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 (2 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-11840531-B2 CDK8/19 inhibitors CDK8, CDK9, CDK18 TSHR 3967/4885ALDH1A1 3487/4885LMNA 1767/4885
US-20210246138-A1 CDK8/19 INHIBITORS CDK8, CDK9, CDK18 TSHR 3967/4885ALDH1A1 3487/4885LMNA 1767/4885

“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.