SCHEMBL12418989

SCHEMBL12418989

Cc1c(C)c(F)c(C#N)c(C#N)c1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TRPV4 Q9HBA0 1/20 0.35
KDM4E B2RXH2 2/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
HPGD P15428 3/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HTT P42858 2/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
GLA P06280 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL24070354 0.91 ALDH1A1 (0.37) ALDH1A1TRPV4KDM4EATMMEN1
SCHEMBL17772471 0.88 ALDH1A1 (0.35) ALDH1A1TRPV4KDM4EATM
SCHEMBL25613867 0.88 TRPV4 (0.32) ALDH1A1TRPV4KDM4EATM
SCHEMBL13587066 0.88 TRPV4 (0.32) ALDH1A1TRPV4KDM4EATMMEN1
SCHEMBL19021858 0.88 TRPV4 (0.35) ALDH1A1TRPV4KDM4EATMMEN1
SCHEMBL26415129 0.86 ALDH1A1 (0.34) ALDH1A1TRPV4ATM
SCHEMBL17540359 0.86 ALDH1A1 (0.34) ALDH1A1TRPV4
SCHEMBL25613914 0.86 ALDH1A1 (0.34) ALDH1A1TRPV4ATM
SCHEMBL25613889 0.86 TRPV4 (0.31) ALDH1A1TRPV4
SCHEMBL14168408 0.85 TRPV4 (0.33) ALDH1A1TRPV4KDM4EATMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110168543-A1 Microwave-Assisted Synthesis of Perfluorophthalocyanine Molecules NEW JERSEY INSTITUTE OF TECHNOLOGY (US) 2011-07-14 US disclosed
US-20110172437-A1 Perfluorophthalocyanine Molecules and Methods of Synthesis NEW JERSEY INSTITUTE OF TECHNOLOGY (US) 2011-07-14 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-20110172437-A1 Perfluorophthalocyanine Molecules and Methods of Synthesis PICALM, PFKFB3, FOS ALDH1A1 2967/4885TRPV4 1007/4885KDM4E 2427/4885

“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.