SCHEMBL42540

SCHEMBL42540

CC(C)(C)OOC(=O)OC(=O)OOC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
SOAT1 P35610 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
SCHEMBL3800212 0.90 TSHR (0.36) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL303730 0.88 TSHR (0.44) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL5689894 0.87 TSHR (0.42) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL542901 0.83 TSHR (0.35) TSHRTDP1ALDH1A1HSD17B10SOAT1
SCHEMBL1333110 0.80 TSHR (0.40) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL12688305 0.80 ALDH1A1 (0.40) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL8626720 0.80 TSHR (0.40) TSHRTDP1ALDH1A1HSD17B10
Ethylene SCHEMBL31265746 0.79 TSHR (0.32) TSHRTDP1ALDH1A1HSD17B10
Ethylene SCHEMBL31265739 0.79 TSHR (0.32) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL3920190 0.78 TSHR (0.39) TSHRTDP1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116751241-A Preparation and application of 2' -deoxy-2 ',2' -difluoro cytidine ProTide 杭州爱科瑞思生物医药有限公司 2023-09-15 CN claimed
US-20130102811-A1 PROCESS FOR THE PREPARATION OF LACOSAMIDE SUN PHARMACEUTICAL INDUSTRIES LTD (IN) 2013-04-25 US claimed
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF SICHUAN HUIYU PHARMACEUTICAL CO., LTD. (CN) 2024-07-04 US disclosed
EP-3768888-B1 COMPOSITE MATERIALS UEA ENTERPRISES LTD (GB) 2024-05-01 EP disclosed
CN-116751240-A Preparation and application of 2' -deoxy-2 ',2' -difluoro cytidine carbonate hydrazide 杭州爱科瑞思生物医药有限公司 2023-09-15 CN disclosed
CN-116751241-A Preparation and application of 2' -deoxy-2 ',2' -difluoro cytidine ProTide 杭州爱科瑞思生物医药有限公司 2023-09-15 CN disclosed
CN-113278166-B Dissolving regeneration and stable dispersion system of single-molecule cellulose 青岛量子元基环保科技有限公司 2023-06-16 CN disclosed
US-20210147642-A1 COMPOSITE MATERIALS UEA ENTERPRISES LIMITED (GB) 2021-05-20 US disclosed
EP-3768888-A1 COMPOSITE MATERIALS UEA Enterprises Limited (GB) 2021-01-27 EP disclosed
US-10864279-B2 Linker-drug and antibody-drug conjugate (ADC) employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2020-12-15 US disclosed
US-20180169262-A1 LINKER-DRUG AND ANTIBODY-DRUG CONJUGATE (ADC) EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2018-06-21 US disclosed
WO-1996022997-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1996-08-01 WO disclosed
WO-1996006849-A1 NOVEL PHOSPHANE OXIDES, METHOD OF PREPARING THEM AND DRUGS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1996-03-07 WO disclosed
EP-0343893-B1 AROMATIC AND HETEROCYCLIC CARBOXAMIDE DERIVATIVES AS ANTINEOPLASTIC AGENTS PFIZER INC. (US) 1992-08-05 EP disclosed
US-4970318-A ANTICARBINOGENIC AGENTS PFIZER INC. (US) 1990-11-13 US disclosed
US-4904680-A IMMUNOLOGY SANKYO COMPANY, LIMITED (JP) 1990-02-27 US disclosed
EP-0173441-B1 AMINO ACID DERIVATIVES HAVING ANTI-TUMOR ACTIVITY AND COMPOSITIONS CONTAINING THEM SANKYO COMPANY LIMITED (JP) 1990-01-24 EP disclosed
EP-0328585-A1 METABOLICALLY ACCEPTABLE POLYISOCYANATE ADHESIVES BIORESEARCH INC. (US) 1989-08-23 EP disclosed
US-4806655-A Process for the stereospecific synthesis of indole derivatives SOCIETE ANONYME: SANOFI (FR) 1989-02-21 US disclosed
EP-0173441-A1 Amino acid derivatives having anti-tumor activity and compositions containing them SANKYO COMPANY LIMITED (JP) 1986-03-05 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 (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-20130102811-A1 PROCESS FOR THE PREPARATION OF LACOSAMIDE SLC6A11, CACNA1B, SLC6A1 TSHR 2361/4885TDP1 2128/4885ALDH1A1 1393/4885
US-20180169262-A1 LINKER-DRUG AND ANTIBODY-DRUG CONJUGATE (ADC) EMPLOYING THE SAME ADCY7, ADCY1, ADCY9 TSHR 411/4885TDP1 4151/4885ALDH1A1 716/4885
US-10864279-B2 Linker-drug and antibody-drug conjugate (ADC) employing the same ADCY7, ADCY1, ADCY9 TSHR 411/4885TDP1 4151/4885ALDH1A1 716/4885
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF KDM1A, TET1, KDM3A TSHR 4378/4885TDP1 275/4885ALDH1A1 460/4885

“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.