SCHEMBL5355972

SCHEMBL5355972

Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
MCL1 Q07820 5/20 0.36
PDE2A O00408 1/20 0.35
AR P10275 1/20 0.35
RORC P51449 5/20 0.34
RAPGEF4 Q8WZA2 1/20 0.34
S1PR1 P21453 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CD44 P16070 1/20 0.33
PPARD Q03181 1/20 0.33

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
SCHEMBL29051999 0.90 MCL1 (0.36) TSHRMCL1PDE2AARRAPGEF4
SCHEMBL3956006 0.83 ESR1 (0.41) TSHRMCL1PDE2AARRAPGEF4
SCHEMBL171040 0.82 PDE2A (0.50) TSHRMCL1PDE2AALDH1A1CYP1A2
SCHEMBL23913893 0.80 HSD11B1 (0.41) TSHRMCL1PDE2AARRAPGEF4
SCHEMBL25973926 0.80 MCL1 (0.40) TSHRMCL1PDE2AARRAPGEF4
SCHEMBL13105395 0.79 ALDH1A1 (0.39) TSHRPDE2ARORCALDH1A1
SCHEMBL7602705 0.76 PDE2A (0.35) TSHRMCL1PDE2AARRAPGEF4
SCHEMBL5348425 0.76 MAPT (0.39) TSHRALDH1A1CYP1A2
SCHEMBL23447265 0.75 ESR1 (0.38) TSHRMCL1PDE2AARS1PR1
SCHEMBL9912479 0.75 TSHR (0.46) TSHRMCL1ALDH1A1CYP1A2CD44

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 TSHR 232/4885MCL1 1851/4885PDE2A 4051/4885
US-20050113567-A1 Perfluoroisopropylbenzene derivative FFAR3, CBR3, HCAR3 TSHR 60/4885MCL1 3331/4885PDE2A 3361/4885

“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.