SCHEMBL16645386

SCHEMBL16645386

CCc1c(C)c2cc(F)c(O)c(F)c2oc1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.56
ALDH1A1 P00352 10/20 0.56
HPGD P15428 10/20 0.56
GAA P10253 8/20 0.56
GLA P06280 7/20 0.56
HSD17B10 Q99714 7/20 0.56
CASP1 P29466 5/20 0.56
CASP7 P55210 5/20 0.56
ERAP1 Q9NZ08 2/20 0.56
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
GFER P55789 1/20 0.48
HIF1A Q16665 1/20 0.48
ESR1 P03372 4/20 0.46
ESR2 Q92731 4/20 0.46
TSHR P16473 2/20 0.43
MAPT P10636 2/20 0.41
LMNA P02545 2/20 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
SCHEMBL10059390 0.89 HSD17B3 (0.51) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL18807744 0.87 KDM4E (0.43) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL10026038 0.86 KDM4E (0.43) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL23395072 0.85 KDM4E (0.42) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL18882648 0.85 POLB (0.42) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL22197384 0.85 MCL1 (0.44) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL18041269 0.85 POLB (0.42) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL1985951 0.85 POLB (0.53) MEN1KMT2APOLBBLM
SCHEMBL13177605 0.85 KDM4E (0.48) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL23471909 0.82 KDM4E (0.53) KDM4EALDH1A1HPGDGAAGLA

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
US-20170333576-A1 NEW SCAFFOLDS AND MULTIFUNCTIONAL INTERMEDIATES FOR IMAGING PSMA AND CANCER THERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2017-11-23 US disclosed
US-9776977-B2 PSMA-targeting compounds and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2017-10-03 US disclosed
US-9056841-B2 PSMA-targeting compounds and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2015-06-16 US disclosed
US-20150104387-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2015-04-16 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-20150104387-A1 PSMA-TARGETING COMPOUNDS AND USES THEREOF FOLH1, KLK3, PSMA2 KDM4E 3474/4885ALDH1A1 1909/4885HPGD 2020/4885
US-20170333576-A1 NEW SCAFFOLDS AND MULTIFUNCTIONAL INTERMEDIATES FOR IMAGING PSMA AND CANCER THERAPY FOLH1, PSMA3, PSMA7 KDM4E 2875/4885ALDH1A1 2008/4885HPGD 949/4885

“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.