SCHEMBL16225643

SCHEMBL16225643

Fc1cccc(F)c1CN1CCN(Cc2c(F)cccc2F)CC1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.72
KDM4E B2RXH2 3/20 0.72
POLB P06746 3/20 0.72
TSHR P16473 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.58
MAPK1 P28482 1/20 0.58
CYP2A13 Q16696 2/20 0.58
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
COMT P21964 1/20 0.49
ALOX15 P16050 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
DRD4 P21917 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
CACNA1G O43497 3/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL10211855 0.91 ALDH1A1 (0.62) ALDH1A1KDM4EPOLBTSHRSMN1; SMN2
SCHEMBL20965553 0.90 ALDH1A1 (0.62) ALDH1A1KDM4EPOLBTSHRSMN1; SMN2
SCHEMBL18389944 0.90 ALDH1A1 (0.62) ALDH1A1KDM4EPOLBTSHRSMN1; SMN2
SCHEMBL807442 0.89 ALDH1A1 (0.63) ALDH1A1KDM4EPOLBTSHRSMN1; SMN2
SCHEMBL16225898 0.88 SIGMAR1 (0.67) ALDH1A1KDM4EPOLBTSHRSMN1; SMN2
SCHEMBL12120556 0.88 ALDH1A1 (0.60) ALDH1A1KDM4EPOLBTSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL7405658 0.87 ALDH1A1 (0.61) ALDH1A1KDM4EPOLBTSHRSMN1; SMN2
Ammonia Solution, Strong SCHEMBL28443624 0.87 ALDH1A1 (0.61) ALDH1A1KDM4EPOLBTSHRSMN1; SMN2
SCHEMBL2925984 0.86 KDM4E (0.57) ALDH1A1KDM4EPOLBTSHRSMN1; SMN2
SCHEMBL18704978 0.85 ALDH1A1 (0.57) ALDH1A1KDM4EPOLBTSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 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 (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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 ALDH1A1 1004/4885KDM4E 4836/4885POLB 3364/4885

“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.