SCHEMBL5358422

SCHEMBL5358422

COc1ccc(C(F)(C(F)(F)F)C(F)(F)F)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ AXL P30530 1/20 0.38
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA7 P43166 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA14 Q9ULX7 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ ACHE P22303 2/20 0.37
▸ HTR3E A5X5Y0 1/20 0.37
▸ HTR3B O95264 1/20 0.37

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
SCHEMBL21446957 0.84 CYP11B1 (0.44) GAACA12CA1CA2CA7
SCHEMBL17287109 0.81 KCNJ11 (0.42) GAAMEN1TSHRKMT2AHSD17B10
SCHEMBL17286686 0.80 HSD11B1 (0.45) GAAALDH1A1HTT
SCHEMBL5958765 0.79 ALDH1A1 (0.48) KDM4EGAAALDH1A1MEN1MAPT
SCHEMBL179542 0.78 GAA (0.47) KDM4EGAAALDH1A1MEN1MAPT
SCHEMBL5958670 0.76 ALDH1A1 (0.48) KDM4EGAAALDH1A1MEN1MAPT
SCHEMBL21226994 0.74 ACHE (0.42) KDM4EGAAALDH1A1MEN1MAPT
SCHEMBL9117899 0.74 GAA (0.41) KDM4EGAAALDH1A1MEN1MAPT
SCHEMBL5351652 0.72 ALDH1A1 (0.48) KDM4EGAAALDH1A1MEN1MAPT
SCHEMBL5358958 0.72 ESR2 (0.38) KDM4EGAAALDH1A1TSHRHSD17B10

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 KDM4E 2908/4885GAA 4868/4885ALDH1A1 1079/4885
US-20050113567-A1 Perfluoroisopropylbenzene derivative FFAR3, CBR3, HCAR3 KDM4E 3340/4885GAA 4857/4885ALDH1A1 2953/4885

“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.

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