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
SCHEMBL8123775 0.86 RARB (0.54) TDP1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL8118059 0.86 RARB (0.54) TDP1MAPK1CYP1A2CYP2D6CYP2C19
SCHEMBL9721752 0.84 TDP1 (0.47) TDP1MAPK1EPHX2CYP1A2CYP2D6
SCHEMBL2841624 0.81 TDP1 (0.68) TDP1MAPK1EPHX2CYP2D6GAA
SCHEMBL2926534 0.81 TDP1 (0.68) TDP1MAPK1EPHX2L3MBTL1DRD2
1-Isopentyloxy-4-Ethoxybenzene SCHEMBL2839898 0.81 TDP1 (0.68) TDP1MAPK1EPHX2GAAHTT
1-Isopentyloxy-4-Methoxybenzene SCHEMBL2848524 0.81 TDP1 (0.68) TDP1MAPK1EPHX2DRD2DRD4
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.

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