SCHEMBL5367046

SCHEMBL5367046

COc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1C(=O)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
CYP2C19 P33261 2/20 0.40
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
AVPR2 P30518 1/20 0.38
GPR27 Q9NS67 1/20 0.38
CFTR P13569 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
LMNA P02545 2/20 0.36
THRB P10828 1/20 0.36
MAPT P10636 3/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 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
SCHEMBL426613 0.87 KDM4E (0.53) ALDH1A1KDM4EHPGDCYP2C19USP2
SCHEMBL5360228 0.86 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDCYP2C19USP2
SCHEMBL5354905 0.84 CFTR (0.51) ALDH1A1KDM4EHPGDCYP2C19USP2
SCHEMBL107111 0.82 NR1H4 (0.51) ALDH1A1KDM4EHPGDCYP2C19NPC1
SCHEMBL3146241 0.82 RXRB (0.41) ALDH1A1KDM4EHPGDCYP2C19USP2
SCHEMBL5356117 0.75 MAOB (0.52) ALDH1A1HPGDRAB9A
SCHEMBL2336567 0.75 SMN1; SMN2 (0.48) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL5348425 0.75 MAPT (0.39) ALDH1A1KDM4EHPGDCYP2C19USP2
SCHEMBL344681 0.74 MAPT (0.48) ALDH1A1KDM4EHPGDCYP2C19USP2
SCHEMBL5359178 0.74 CACNA1B (0.37) ALDH1A1KDM4EHPGDHSD17B10

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 ALDH1A1 1079/4885KDM4E 2908/4885HPGD 2129/4885
US-20050113567-A1 Perfluoroisopropylbenzene derivative FFAR3, CBR3, HCAR3 ALDH1A1 2953/4885KDM4E 3340/4885HPGD 2620/4885

“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.