SCHEMBL6443526

SCHEMBL6443526

CC(Cc1ccccc1F)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
APAF1 O14727 2/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
RECQL P46063 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PPARG P37231 3/20 0.50
PPARA Q07869 2/20 0.50
ALDH1A1 P00352 3/20 0.45
EPHX2 P34913 1/20 0.43
PTGER1 P34995 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC1A2 P43004 1/20 0.41

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
SCHEMBL20322838 1.00 KDM4E (0.51) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL27505056 0.86 PPARG (0.46) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL8520662 0.86 APAF1 (0.59) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL13235820 0.85 ALDH1A1 (0.44) KDM4EPPARGPPARAALDH1A1MEN1
SCHEMBL28297815 0.84 ALDH1A1 (0.47) KDM4EPPARGPPARAALDH1A1SLC1A2
SCHEMBL27644362 0.82 PPARG (0.43) KDM4EAPAF1POLBMAPTRECQL
SCHEMBL27728237 0.82 TSHR (0.46) KDM4EPOLBPPARGPPARAALDH1A1
SCHEMBL7274320 0.81 CYP1A2 (0.55) KDM4EPPARGPPARAALDH1A1MEN1
SCHEMBL20341737 0.81 KMT2A (0.49) KDM4EPOLBPPARGPPARAALDH1A1
SCHEMBL11737506 0.80 PPARG (0.49) KDM4EPPARGPPARAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3305900-B1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION AS (DK) 2021-07-21 EP disclosed
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus SEATTLE GENETICS, INC. (US) 2018-06-19 US disclosed
EP-2341140-B1 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION AS (DK) 2017-07-19 EP disclosed
EP-1021402-B1 AROMATIC C16-C20-SUBSTITUTED TETRAHYDRO PROSTAGLANDINS USEFUL AS FP AGONISTS UNIV DUKE (US) 2005-11-23 EP disclosed
EP-1082299-B1 C11 OXYMYL AND HYDROXYLAMINO PROSTAGLANDINS USEFUL AS MEDICAMENTS UNIV DUKE (US) 2004-06-30 EP disclosed
US-6410780-B1 BONE DISORDERS; VISION DEFECTS THE PROCTER & GAMBLE CO. 2002-06-25 US disclosed
EP-1082299-A1 C11 OXYMYL AND HYDROXYLAMINO PROSTAGLANDINS USEFUL AS MEDICAMENTS THE PROCTER & GAMBLE COMPANY (US) 2001-03-14 EP disclosed
US-6107338-A BONE DISORDERS; GLAUCOMA THE PROCTER & GAMBLE COMPANY (US) 2000-08-22 US disclosed
EP-1021402-A1 AROMATIC C16-C20-SUBSTITUTED TETRAHYDRO PROSTAGLANDINS USEFUL AS FP AGONISTS THE PROCTER & GAMBLE COMPANY (US) 2000-07-26 EP disclosed
WO-1999050241-A1 C11 OXYMYL AND HYDROXYLAMINO PROSTAGLANDINS USEFUL AS MEDICAMENTS THE PROCTER & GAMBLE COMPANY (US) 1999-10-07 WO disclosed
WO-1999012896-A1 AROMATIC C16-C20-SUBSTITUTED TETRAHYDRO PROSTAGLANDINS USEFUL AS FP AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1999-03-18 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 (1 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-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP KDM4E 608/4885APAF1 546/4885POLB 4543/4885

“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.