SCHEMBL5356227

SCHEMBL5356227

Cc1cc(Br)ccc1C(F)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
PDE2A O00408 1/20 0.32
SIGMAR1 Q99720 2/20 0.31
PYCR1 P32322 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
HTR7 P34969 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
SCHEMBL869450 0.83 KDM1A (0.42) KDM1AALDH1A1MAPK1CA1CA2
SCHEMBL29426988 0.83 KDM1A (0.42) KDM1AALDH1A1MAPK1CA1CA2
SCHEMBL24633610 0.81 PDE2A (0.36) KDM1AALDH1A1MAPK1CA1CA2
SCHEMBL19859263 0.81 PDE2A (0.36) KDM1AALDH1A1MAPK1CA1CA2
SCHEMBL21994542 0.79 CA1 (0.35) KDM1AALDH1A1MAPK1CA1CA2
SCHEMBL5361521 0.77 CYP11B1 (0.39) KDM1AALDH1A1PYCR1LMNAHPGD
SCHEMBL12083401 0.76 PTGDR2 (0.40) ALDH1A1MAPK1CA1CA2SIGMAR1
SCHEMBL5361654 0.75 PDE2A (0.32) PDE2APGK1PGK2
SCHEMBL5351652 0.75 ALDH1A1 (0.48) ALDH1A1MAPK1LMNA
SCHEMBL5358958 0.75 ESR2 (0.38) ALDH1A1LMNAHPGDPGK1PGK2

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-7169955-B2 Perfluoroisopropylbenzene derivative NIHON NOHYAKU CO., LTD. (JP) 2007-01-30 US disclosed
US-20050113567-A1 Perfluoroisopropylbenzene derivative NIHON NOHYAKU CO., LTD. (JP) 2005-05-26 US disclosed
US-20030187233-A1 PERFLUOROISOPROPYBENZENE DERIVATIVE NIHON NOHYAKU CO., LTD. (JP) 2003-10-02 US disclosed
EP-1253128-A1 PERFLUOROISOPROPYLBENZENE DERIVATIVES Nihon Nohyaku Co., Ltd. (JP) 2002-10-30 EP 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-20030187233-A1 PERFLUOROISOPROPYBENZENE DERIVATIVE AFF1, CBR1, RER1 KDM1A 1112/4885ALDH1A1 1079/4885MAPK1 1518/4885
US-20050113567-A1 Perfluoroisopropylbenzene derivative FFAR3, CBR3, HCAR3 KDM1A 3206/4885ALDH1A1 2953/4885MAPK1 3271/4885

“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.