SCHEMBL19088249

SCHEMBL19088249

CC(C)COC(=O)CCc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
TDP1 Q9NUW8 2/20 0.47
APP P05067 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MET P08581 2/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
ESR1 P03372 2/20 0.42
CYP19A1 P11511 2/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
KDM4E B2RXH2 1/20 0.42
SLC16A3 O15427 1/20 0.42
LMNA P02545 1/20 0.42
TTR P02766 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL32685139 0.89 CYP4F2 (0.46) CYP4F2CYP4A11TDP1APPMEN1
SCHEMBL9344845 0.86 CYP4F2 (0.50) CYP4F2CYP4A11TDP1APPMEN1
SCHEMBL9344841 0.86 CYP4F2 (0.50) CYP4F2CYP4A11TDP1APPMEN1
SCHEMBL23545820 0.85 CYP4F2 (0.49) CYP4F2CYP4A11TDP1ALDH1A1TSHR
SCHEMBL23545821 0.85 CYP4F2 (0.49) CYP4F2CYP4A11TDP1ALDH1A1TSHR
SCHEMBL3185725 0.85 TDP1 (0.68) TDP1APPKMT2AALDH1A1TSHR
SCHEMBL17107198 0.82 TDP1 (0.68) CYP4F2CYP4A11TDP1APPMEN1
SCHEMBL19795505 0.81 CYP4F2 (0.45) CYP4F2CYP4A11TDP1ALDH1A1HDAC8
SCHEMBL304455 0.81 CYP4F2 (0.74) CYP4F2CYP4A11TDP1APPKMT2A
SCHEMBL25392344 0.79 CYP4F2 (0.53) CYP4F2CYP4A11TDP1APPMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3397968-B1 UREA-BASED PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITORS FOR IMAGING AND THERAPY FIVE ELEVEN PHARMA INC (US) 2021-09-29 EP disclosed
US-10688200-B2 Urea-based prostate specific membrane antigen (PSMA) inhibitors for imaging and therapy FIVE ELEVEN PHARMA INC. (US) 2020-06-23 US disclosed
WO-2017116994-A1 UREA-BASED PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITORS FOR IMAGING AND THERAPY FIVE ELEVEN PHARMA INC. (US) 2017-07-06 WO disclosed
US-20170189568-A1 UREA-BASED PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITORS FOR IMAGING AND THERAPY FIVE ELEVEN PHARMA INC. 2017-07-06 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 (2 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-20170189568-A1 UREA-BASED PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITORS FOR IMAGING AND THERAPY KLK3, FOLH1, UTS2R CYP4F2 2236/4885CYP4A11 3745/4885TDP1 4743/4885
US-10688200-B2 Urea-based prostate specific membrane antigen (PSMA) inhibitors for imaging and therapy KLK3, FOLH1, UTS2R CYP4F2 2236/4885CYP4A11 3745/4885TDP1 4743/4885

“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.