SCHEMBL19862541

SCHEMBL19862541

CC(C)CCOc1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.66
MAPK1 P28482 1/20 0.58
EPHX2 P34913 1/20 0.54
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
S1PR1 P21453 1/20 0.44
S1PR5 Q9H228 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL13251237 0.90 TDP1 (0.53) TDP1MAPK1EPHX2CYP1A2CYP2D6
1,4-Diisopentoxybenzene SCHEMBL2846102 0.89 TDP1 (0.79) TDP1MAPK1EPHX2GAAHTT
SCHEMBL8118059 0.86 RARB (0.54) TDP1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL8123775 0.86 RARB (0.54) TDP1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL9721752 0.84 TDP1 (0.47) TDP1MAPK1EPHX2CYP1A2CYP2D6
1-Isopentyloxy-4-Ethoxybenzene SCHEMBL2839898 0.81 TDP1 (0.68) TDP1MAPK1EPHX2GAAHTT
1-Isopentyloxy-4-Methoxybenzene SCHEMBL2848524 0.81 TDP1 (0.68) TDP1MAPK1EPHX2DRD2DRD4
SCHEMBL2926534 0.81 TDP1 (0.68) TDP1MAPK1EPHX2L3MBTL1DRD2
SCHEMBL2841624 0.81 TDP1 (0.68) TDP1MAPK1EPHX2CYP2D6GAA
SCHEMBL9227191 0.81 TDP1 (0.49) TDP1MAPK1EPHX2CYP2C19GAA

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
CN-85106701-A 2-substituting group-trimethylene diphosphonate derivatives and the preparation method who contains the formula of medicine of this derivative 1987-03-25 CN claimed
EP-4328230-A2 AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2024-02-28 EP disclosed
EP-3761980-B1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2023-11-29 EP disclosed
WO-2023225119-A1 STABILIZATION OF INTEGRIN INHIBITORS PLIANT THERAPEUTICS, INC. (US) 2023-11-23 WO disclosed
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2023-08-31 US disclosed
US-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2023-08-31 US disclosed
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS PLIANT THERAPEUTICS INC (US) 2023-06-15 US disclosed
US-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-05-11 US disclosed
US-20210017171-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2021-01-21 US disclosed
US-20200352942-A1 DOSAGE FORMS AND REGIMENS FOR AMINO ACID COMPOUNDS PLIANT THERAPEUTICS, INC. 2020-11-12 US disclosed
US-10793564-B2 Amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2020-10-06 US disclosed
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-27 US disclosed
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2019-10-24 US disclosed
US-20190276449-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2019-09-12 US disclosed
WO-2019173653-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2019-09-12 WO disclosed
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 US disclosed
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 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 (11 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-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 TDP1 4709/4885MAPK1 1617/4885EPHX2 4410/4885
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE PDE3A, PDE2A, PDE5A TDP1 32/4885MAPK1 1503/4885EPHX2 1000/4885
US-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS TDP1 3901/4885MAPK1 477/4885EPHX2 1805/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP TDP1 226/4885MAPK1 2266/4885EPHX2 2853/4885
US-10793564-B2 Amino acid compounds and methods of use ITGB6, ITGA6, ITGA5 TDP1 4709/4885MAPK1 1617/4885EPHX2 4410/4885
US-20190276449-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 TDP1 4709/4885MAPK1 1617/4885EPHX2 4410/4885
US-20210017171-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 TDP1 4709/4885MAPK1 1617/4885EPHX2 4410/4885
US-20200352942-A1 DOSAGE FORMS AND REGIMENS FOR AMINO ACID COMPOUNDS ITGB6, ITGA6, ITGAV TDP1 4657/4885MAPK1 2210/4885EPHX2 4524/4885
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS TDP1 3901/4885MAPK1 477/4885EPHX2 1805/4885
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS ITGA5, ITGAL, ITGB5 TDP1 4651/4885MAPK1 1668/4885EPHX2 3869/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP TDP1 226/4885MAPK1 2266/4885EPHX2 2853/4885

“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.