SCHEMBL5351652

SCHEMBL5351652

Cc1cc(N)ccc1C(F)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ PDE10A Q9Y233 1/20 0.43
▸ TSHR P16473 4/20 0.42
▸ GAA P10253 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CASP1 P29466 3/20 0.41
▸ CYP3A4 P08684 2/20 0.39
▸ MAPT P10636 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ THRB P10828 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KIF11 P52732 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NR4A1 P22736 1/20 0.35
▸ PTK2B Q14289 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
SCHEMBL28297716 0.90 ALDH1A1 (0.43) ALDH1A1PDE10ATSHRGAAGLA
SCHEMBL9198448 0.83 ALDH1A1 (0.48) ALDH1A1PDE10ATSHRGAAGLA
SCHEMBL29938143 0.83 ALDH1A1 (0.48) ALDH1A1PDE10ATSHRGAAGLA
SCHEMBL2994229 0.83 ALDH1A1 (0.48) ALDH1A1PDE10ATSHRGAAGLA
SCHEMBL30750882 0.83 TSHR (0.56) ALDH1A1PDE10ATSHRGAAGLA
SCHEMBL2059016 0.83 TSHR (0.56) ALDH1A1PDE10ATSHRGAAGLA
SCHEMBL25908466 0.81 ALDH1A1 (0.50) ALDH1A1PDE10ATSHRGAAGLA
SCHEMBL7099525 0.80 SMN1; SMN2 (0.53) ALDH1A1PDE10ATSHRGAAGLA
SCHEMBL28297714 0.80 ALDH1A1 (0.45) ALDH1A1PDE10ATSHRGAAGLA
SCHEMBL21496127 0.77 ALDH1A1 (0.42) ALDH1A1PDE10ATSHRGAAGLA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106187883-B Quinoline compound containing perfluoroalkyl substituent group, preparation method and application thereof 浙江省化工研究院有限公司 2020-07-07 — — CN disclosed
US-7169955-B2 Perfluoroisopropylbenzene derivative NIHON NOHYAKU CO., LTD. (JP) 2007-01-30 — — US disclosed
EP-1006102-B1 Process for the production of perfluoroalkylated aniline derivatives NIHON NOHYAKU CO LTD (JP) 2006-08-30 — — EP disclosed
US-20050113567-A1 Perfluoroisopropylbenzene derivative NIHON NOHYAKU CO., LTD. (JP) 2005-05-26 — — US disclosed
US-6717013-B2 EASILY ATTAINED WITH HIGH POSITIONAL SELECTIVITY AND YIELD; INTERMEDIATES AND RAW MATERIALS NIHON NOHYAKU CO., LTD. (JP) 2004-04-06 — — US disclosed
EP-1380568-A2 Perfluoroalkylaniline derivatives NIHON NOHYAKU CO., LTD. (JP) 2004-01-14 — — EP disclosed
US-20030204104-A1 Perfluoroalkylated aniline compound and process for producing the same NIHON NOHYAKU CO., LTD. (JP) 2003-10-30 — — US disclosed
US-20030187233-A1 PERFLUOROISOPROPYBENZENE DERIVATIVE NIHON NOHYAKU CO., LTD. (JP) 2003-10-02 — — US disclosed
US-6600074-B2 Useful as intermediates or raw materials for the synthesis of agricultural chemicals, pharmaceuticals NIHON NOHYAKU CO., LTD. (JP) 2003-07-29 — — US disclosed
US-20020198399-A1 Perfluoroalkylated aniline compound and process for producing the same NIHON NOHYAKU CO., LTD. (JP) 2002-12-26 — — US disclosed
EP-1253128-A1 PERFLUOROISOPROPYLBENZENE DERIVATIVES Nihon Nohyaku Co., Ltd. (JP) 2002-10-30 — — EP disclosed
EP-1006102-A2 Aniline derivative and process for producing the same NIHON NOHYAKU CO., LTD. (JP) 2000-06-07 — — 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 (4 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 1079/4885PDE10A 4330/4885TSHR 232/4885
US-20020198399-A1 Perfluoroalkylated aniline compound and process for producing the same CYP8B1, CCR8, AFF1 ALDH1A1 722/4885PDE10A 3377/4885TSHR 228/4885
US-20050113567-A1 Perfluoroisopropylbenzene derivative FFAR3, CBR3, HCAR3 ALDH1A1 2953/4885PDE10A 3164/4885TSHR 60/4885
US-20030204104-A1 Perfluoroalkylated aniline compound and process for producing the same CYP8B1, CCR8, AFF1 ALDH1A1 722/4885PDE10A 3377/4885TSHR 228/4885

“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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