SCHEMBL5358958

SCHEMBL5358958

Cc1cc(O)ccc1C(F)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 8/20 0.38
ESR1 P03372 7/20 0.38
ALOX15 P16050 2/20 0.38
CYP3A4 P08684 2/20 0.38
CHRM1 P11229 1/20 0.38
MAOA P21397 1/20 0.38
TBXA2R P21731 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38
ALDH1A1 P00352 2/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
MIF P14174 1/20 0.38
TYR P14679 1/20 0.38
HTT P42858 1/20 0.38
NFE2L2 Q16236 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ACHE P22303 1/20 0.36
KCNJ11 Q14654 1/20 0.36

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
SCHEMBL29426965 0.83 KIF11 (0.47) ESR2ESR1ALOX15CYP3A4CHRM1
SCHEMBL9694190 0.83 KIF11 (0.47) ESR2ESR1ALOX15CYP3A4CHRM1
SCHEMBL17286684 0.82 AR (0.46) ESR2ESR1ALOX15CYP3A4CHRM1
SCHEMBL17287089 0.82 KCNJ11 (0.49) ESR2ESR1ALOX15CYP3A4CHRM1
SCHEMBL18535798 0.81 ESR2 (0.44) ESR2ESR1ALOX15CYP3A4CHRM1
SCHEMBL21539358 0.77 ESR2 (0.59) ESR2ESR1CYP3A4LMNATYR
SCHEMBL8417399 0.77 ESR1 (0.34) ESR2ESR1ALOX15CYP3A4CHRM1
SCHEMBL1159790 0.76 ALOX15 (0.58) ESR2ESR1ALOX15CYP3A4CHRM1
SCHEMBL29465786 0.76 ALOX15 (0.46) ESR2ESR1ALOX15CYP3A4CHRM1
SCHEMBL31553274 0.76 ALOX15 (0.58) ESR2ESR1ALOX15CYP3A4CHRM1

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 ESR2 977/4885ESR1 1830/4885ALOX15 993/4885
US-20050113567-A1 Perfluoroisopropylbenzene derivative FFAR3, CBR3, HCAR3 ESR2 728/4885ESR1 361/4885ALOX15 1311/4885

“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.