SCHEMBL4207967

SCHEMBL4207967

COc1cccc(-c2cccc(CC(=O)O)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.59
AKR1C3 P42330 1/20 0.59
AKR1C2 P52895 1/20 0.59
CTBP2 P56545 1/20 0.56
FFAR1 O14842 3/20 0.54
PPARD Q03181 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
THRA P10827 1/20 0.53
THRB P10828 1/20 0.53
LMNA P02545 1/20 0.53
HSD17B2 P37059 1/20 0.52
SLC13A5 Q86YT5 1/20 0.52
HDAC4 P56524 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
USP2 O75604 1/20 0.51
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
GRIN1 Q05586 1/20 0.51

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
SCHEMBL29824310 0.90 PTGS1 (0.67) PTGS1AKR1C3AKR1C2CTBP2CYP1A2
SCHEMBL229067 0.90 PTGS1 (0.67) PTGS1AKR1C3AKR1C2CTBP2CYP1A2
SCHEMBL4201864 0.89 PTGS1 (0.58) PTGS1AKR1C3AKR1C2FFAR1PPARD
SCHEMBL29936241 0.89 SLC13A5 (0.61) PTGS1AKR1C3AKR1C2FFAR1PPARD
SCHEMBL4206771 0.89 SLC13A5 (0.61) PTGS1AKR1C3AKR1C2FFAR1PPARD
SCHEMBL8218805 0.88 CTBP2 (0.65) PTGS1AKR1C3AKR1C2CTBP2CYP1A2
Hydrochloric Acid SCHEMBL8693464 0.88 CTBP2 (0.65) PTGS1AKR1C3AKR1C2CTBP2CYP1A2
SCHEMBL3837938 0.86 MAOB (0.51) CTBP2FFAR1PPARDHSD17B2HDAC4
SCHEMBL4433180 0.86 FFAR1 (0.60) PTGS1AKR1C3AKR1C2FFAR1THRA
SCHEMBL30646820 0.86 CYP11B1 (0.74) PTGS1AKR1C3AKR1C2FFAR1PPARD

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 9 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

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.