SCHEMBL18988596

SCHEMBL18988596

Fc1ccc2c(c1)C(CC(F)(F)F)CCC2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.45
NR3C1 P04150 2/20 0.43
KDM2B Q8NHM5 1/20 0.41
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
NQO2 P16083 1/20 0.39
HTR6 P50406 4/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
TRPV1 Q8NER1 2/20 0.36
OPRM1 P35372 1/20 0.36
ACHE P22303 1/20 0.36
PDPK1 O15530 1/20 0.35
KDM1A O60341 1/20 0.35

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
SCHEMBL22389338 1.00 KDM4C (0.45) KDM4CNR3C1KDM2BMTNR1AMTNR1B
SCHEMBL22389127 0.83 KDM2B (0.42) NR3C1KDM2BMTNR1AMTNR1BNQO2
SCHEMBL24593623 0.81 KDM4C (0.46) KDM4CNR3C1KDM2BMTNR1AMTNR1B
SCHEMBL15839921 0.81 HTR6 (0.54) KDM4CHTR6HTR2AHTR2CKDM1A
SCHEMBL22389339 0.80 MTNR1A (0.61) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL18988728 0.80 MTNR1A (0.61) MTNR1AMTNR1BNQO2TRPV1
Hydrochloric Acid SCHEMBL6076988 0.78 KDM4C (0.45) KDM4CKDM2BMTNR1AMTNR1BNQO2
Hydrochloric Acid SCHEMBL6076996 0.78 KDM4C (0.45) KDM4CNR3C1KDM2BMTNR1AMTNR1B
SCHEMBL31028096 0.77 KDM4C (0.44) KDM4CNR3C1KDM2BMTNR1AMTNR1B
SCHEMBL8780415 0.76 KDM4C (0.54) KDM4CNR3C1MTNR1AMTNR1BNQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10995043-B2 Method for producing perfluoroalkylated compound RIKEN (JP) 2021-05-04 US disclosed
US-10995043-B2 Method for producing perfluoroalkylated compound RIKEN (JP) 2021-05-04 US disclosed
US-20200277243-A1 METHOD FOR PRODUCING PERFLUOROALKYLATED COMPOUND RIKEN (JP) 2020-09-03 US disclosed
US-20200277243-A1 METHOD FOR PRODUCING PERFLUOROALKYLATED COMPOUND RIKEN (JP) 2020-09-03 US disclosed
EP-3392228-A1 METHOD FOR PRODUCING PERFLUOROALKYLATED COMPOUND RIKEN (JP) 2018-10-24 EP disclosed
WO-2017104589-A1 METHOD FOR PRODUCING PERFLUOROALKYLATED COMPOUND 国立研究開発法人理化学研究所 2017-06-22 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 (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-10995043-B2 Method for producing perfluoroalkylated compound PAOX, PPOX, GPX4 KDM4C 2742/4885NR3C1 2847/4885KDM2B 2850/4885
US-20200277243-A1 METHOD FOR PRODUCING PERFLUOROALKYLATED COMPOUND PAOX, PPOX, GPX4 KDM4C 2742/4885NR3C1 2847/4885KDM2B 2850/4885

“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.