SCHEMBL70200

SCHEMBL70200

CC(C)c1ccc2c(c1)OCO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
CYP3A4 P08684 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
MAPK1 P28482 1/20 0.51
TAAR1 Q96RJ0 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
OGA O60502 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
USP2 O75604 1/20 0.48

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
SCHEMBL12974809 0.88 PTGS1 (0.46) MEN1KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL108228 0.87 CYP3A4 (0.54) MEN1KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL71414 0.87 PTGS1 (0.62) MEN1KMT2ACYP3A4CYP2D6SLC6A2
SCHEMBL18589838 0.84 CA12 (0.51) MEN1KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL24489511 0.83 CYP3A4 (0.51) MEN1KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL10823820 0.83 CYP3A4 (0.51) MEN1KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL1681872 0.83 CYP3A4 (0.59) MEN1KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL13754486 0.83 CYP3A4 (0.51) MEN1KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL20738508 0.83 CYP3A4 (0.51) MEN1KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL12538499 0.83 PTGS1 (0.46) MEN1KMT2ACYP3A4CYP1A2CYP2D6

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 1258 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12044968-B2 Protective film-forming composition having acetal structure and amide structure NISSAN CHEMICAL CORPORATION (JP) 2024-07-23 US disclosed
WO-2024151833-A1 SPIRO DERIVATIVES AS M4 ACTIVATORS/MODULATORS AND USES THEREOF CEREVEL THERAPEUTICS, LLC (US) 2024-07-18 WO disclosed
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD. (CN) 2024-07-11 US disclosed
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD. (CN) 2024-07-11 US disclosed
US-12030878-B2 Substituted indole ether compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-09 US disclosed
US-12030878-B2 Substituted indole ether compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-09 US disclosed
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
US-20240067638-A1 IMIDAZO[1,2-A]PYRIDINE AND [1,2,4]TRIAZOLO[1,5-A]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2024-02-29 US disclosed
US-20240067638-A1 IMIDAZO[1,2-A]PYRIDINE AND [1,2,4]TRIAZOLO[1,5-A]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2024-02-29 US disclosed
US-5187173-A Degenerative diseases such as emphysema, rheumatoid arthritis, pancreatitis, cyctic fibrosis and skin disorders STERLING WINTHROP INC. (US) 1993-02-16 US disclosed
EP-0281098-B1 BENZODIOXOLE DERIVATIVES, COMPOSITIONS COMPRISING THE SAME, AND THE USE OF THE SAME FOR THE MANUFACTURE OF MEDICAMENTS Eisai Co., Ltd. (JP) 1992-11-25 EP disclosed
EP-0483928-A1 2-Saccharinylmethyl aryl carboxylates useful as proteolytic enzyme inhibitors and compositions and method of use STERLING WINTHROP INC. (US) 1992-05-06 EP disclosed
US-5110956-A Liver disorders EISAI CO., LTD. (JP) 1992-05-05 US disclosed
EP-0281098-A1 Benzodioxole derivatives, compositions comprising the same, and the use of the same for the manufacture of medicaments Eisai Co., Ltd. (JP) 1988-09-07 EP disclosed
EP-0077721-A1 Cyclopropanecarboxylic-acid derivatives bearing an alkylthiocarbonyl group, their preparation, their use as parasiticides for plants, animals, and loci, and compositions containing them ROUSSEL-UCLAF (FR) 1983-04-27 EP disclosed
EP-0050534-A1 Esters of cyclopropane-carboxylic acids related to pyrethric acid, their preparation and use as insecticides ROUSSEL-UCLAF (FR) 1982-04-28 EP disclosed
EP-0048186-A2 Cyclopropane-carboxylic-acid derivatives, their preparation, their use in combating vegetal parasites, animals and locations, their compositions, and intermediates ROUSSEL-UCLAF (FR) 1982-03-24 EP disclosed
EP-0041021-A2 Cyclopropane carboxylic acid derivatives, their preparation, their use against parasites in plants and animals, their compositions and their intermediates ROUSSEL-UCLAF (FR) 1981-12-02 EP disclosed
EP-0033259-A2 3-(buta-1',3'-dienyl) substituted derivatives of cyclopropane-1-carboxylic acid, compositions against the parasites of plants and warm-blooded animals, and perfuming compositions containing them; their preparation ROUSSEL-UCLAF (FR) 1981-08-05 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-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF ITGB1, ITGA1, ITGAV MEN1 2072/4885KMT2A 3333/4885CYP3A4 2981/4885
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF MAT1A, AMD1, MAT2B MEN1 525/4885KMT2A 436/4885CYP3A4 391/4885
US-20240067638-A1 IMIDAZO[1,2-A]PYRIDINE AND [1,2,4]TRIAZOLO[1,5-A]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS TLR9, TLR1, TLR7 MEN1 4092/4885KMT2A 1127/4885CYP3A4 4306/4885
US-12030878-B2 Substituted indole ether compounds TLR7, TLR8, TLR1 MEN1 3173/4885KMT2A 2860/4885CYP3A4 1712/4885

“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.