SCHEMBL4201864

SCHEMBL4201864

COc1ccc(-c2cccc(CC(=O)O)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.58
AKR1C3 P42330 1/20 0.58
AKR1C2 P52895 1/20 0.58
HPGD P15428 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
FFAR1 O14842 1/20 0.56
PPARD Q03181 1/20 0.56
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
ERCC5 P28715 1/20 0.55
FEN1 P39748 1/20 0.55
GRIN2D O15399 1/20 0.54
GRIN3B O60391 1/20 0.54
GRIN1 Q05586 1/20 0.54
GRIN2A Q12879 1/20 0.54
GRIN2B Q13224 1/20 0.54
GRIN2C Q14957 1/20 0.54
GRIN3A Q8TCU5 1/20 0.54

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
SCHEMBL4433180 0.90 FFAR1 (0.60) PTGS1AKR1C3AKR1C2HPGDKDM4E
SCHEMBL4207967 0.89 PTGS1 (0.59) PTGS1AKR1C3AKR1C2FFAR1PPARD
SCHEMBL4440857 0.87 MMP2 (0.53) PTGS1AKR1C3AKR1C2HPGDKDM4E
SCHEMBL491853 0.85 PTGS1 (0.58) PTGS1AKR1C3AKR1C2HPGDKDM4E
SCHEMBL31688954 0.85 FFAR1 (0.63) HPGDKDM4EALDH1A1SMN1; SMN2FFAR1
SCHEMBL28032595 0.85 LMNA (0.63) PTGS1HPGDKDM4EGRIN2DGRIN3B
SCHEMBL29936241 0.84 SLC13A5 (0.61) PTGS1AKR1C3AKR1C2FFAR1PPARD
SCHEMBL4206771 0.84 SLC13A5 (0.61) PTGS1AKR1C3AKR1C2FFAR1PPARD
SCHEMBL4217510 0.83 KDM4E (0.68) PTGS1AKR1C3AKR1C2HPGDKDM4E
Methyl Alcohol SCHEMBL7855784 0.83 ABCC4 (0.62) PTGS1GRIN2DGRIN3BGRIN1GRIN2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11214564-B2 Compounds with thymine skeleton for use in medicine Technische Universität Dresden (DE) 2022-01-04 US disclosed
US-11214564-B2 Compounds with thymine skeleton for use in medicine Technische Universität Dresden (DE) 2022-01-04 US disclosed
EP-3819006-A1 COMPOUNDS WITH THYMINE SKELETON FOR USE IN MEDICINE Technische Universität Dresden (DE) 2021-05-12 EP disclosed
EP-3819006-A1 COMPOUNDS WITH THYMINE SKELETON FOR USE IN MEDICINE Technische Universität Dresden (DE) 2021-05-12 EP disclosed
US-20210130328-A1 NOVEL COMPOUNDS WITH THYMINE SKELETON FOR USE IN MEDICINE Technische Universität Dresden (DE) 2021-05-06 US disclosed
US-20210130328-A1 NOVEL COMPOUNDS WITH THYMINE SKELETON FOR USE IN MEDICINE Technische Universität Dresden (DE) 2021-05-06 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
WO-2005092062-A2 COMPOUNDS FOR NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2005-10-06 WO 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 (3 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-20210130328-A1 NOVEL COMPOUNDS WITH THYMINE SKELETON FOR USE IN MEDICINE TMSB10, TMSB4X, TBCA PTGS1 1292/4885AKR1C3 3437/4885AKR1C2 3686/4885
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 PTGS1 2198/4885AKR1C3 570/4885AKR1C2 653/4885
US-11214564-B2 Compounds with thymine skeleton for use in medicine TMSB10, TMSB4X, TBCA PTGS1 1440/4885AKR1C3 3270/4885AKR1C2 3532/4885

“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.