SCHEMBL8065786

SCHEMBL8065786

CCc1ccc(I)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.43
CYP2A6 P11509 2/20 0.41
CYP1A2 P05177 1/20 0.41
PDE2A O00408 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.39
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
S1PR1 P21453 1/20 0.36
SKP2 Q13309 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
SCHEMBL21346932 0.83 PTGS1 (0.41) PTGS1PTGS2ESR1ESR2S1PR1
SCHEMBL19154351 0.83 ESR1 (0.54) PTGS1PTGS2ESR1ESR2ALDH1A1
SCHEMBL14102324 0.81 S1PR1 (0.46) TRPA1CYP2A6CYP1A2PDE2ARAPGEF4
SCHEMBL29661799 0.80 TRPA1 (0.46) TRPA1CYP2A6CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL10274472 0.80 TRPA1 (0.46) TRPA1CYP2A6CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL24219430 0.79 HRH3 (0.39) CYP2A6ESR1ESR2SKP2GAA
SCHEMBL171208 0.79 ESR1 (0.40) PTGS1PTGS2ESR1ESR2S1PR1
SCHEMBL20549337 0.79 ESR1 (0.35) PTGS1PTGS2ESR1ESR2S1PR1
SCHEMBL30831846 0.79 ESR1 (0.35) PTGS1PTGS2ESR1ESR2S1PR1
SCHEMBL26586432 0.79 ESR1 (0.35) PTGS1PTGS2ESR1ESR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025049824-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING AROMATIC DERIVATIVES OSMO LABS, PBC (US) 2025-03-06 WO disclosed
WO-2023240267-A2 COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SIONNA THERAPEUTICS (US) 2023-12-14 WO disclosed
US-20230042009-A1 COMPOUND, COMPOSITION, CURED SUBSTANCE, OPTICALLY ANISOTROPIC BODY, OPTICAL ELEMENT, AND LIGHT GUIDE ELEMENT FUJIFILM CORPORATION (JP) 2023-02-09 US disclosed
EP-3889138-A1 HISTONE ACETYLASE P300 INHIBITOR AND USE THEREOF Hinova Pharmaceuticals Inc. (CN) 2021-10-06 EP disclosed
US-10774077-B2 Substituted 2-imino-1,3-thiazolidin-4-ones as N-arachidonoylethanolamine cellular uptake inhibitors UNIVERSITAT BERN (CH) 2020-09-15 US disclosed
US-10626111-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-04-21 US disclosed
WO-2019039198-A1 METHOD FOR CONTROLLING BACTERIAL DISEASE DAMAGE OF PLANT USING PHENYLACETONITRILE DERIVATIVE アグロカネショウ株式会社 2019-02-28 WO disclosed
WO-2017157735-A1 SUBSTITUTED SULFONYL AMIDES FOR CONTROLLING ANIMAL PESTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-09-21 WO disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-8765939-B2 Pyrimidline derivatives having immune modulating properties that act via TLR7 for the treatment of viral or allergic diseases and cancers ASTRAZENECA AB (SE) 2014-07-01 US disclosed
US-20130045955-A1 NOVEL COMPOUNDS BENNETT NICHOLAS J (GB) 2013-02-21 US disclosed
US-8268990-B2 Compounds ASTRAZENECA AB (SE) 2012-09-18 US disclosed
US-20090209524-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-08-20 US disclosed
US-20090153039-A1 Green electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-06-18 US disclosed
WO-2009073779-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-06-11 WO disclosed
EP-2067766-A1 Green electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-06-10 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 (6 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-20230042009-A1 COMPOUND, COMPOSITION, CURED SUBSTANCE, OPTICALLY ANISOTROPIC BODY, OPTICAL ELEMENT, AND LIGHT GUIDE ELEMENT SP1, C5, ZYX TRPA1 93/4885CYP2A6 3072/4885CYP1A2 2754/4885
US-20090209524-A1 Novel Compounds ABCG2, CYP4B1, CYP3A4 TRPA1 1438/4885CYP2A6 82/4885CYP1A2 43/4885
US-20130045955-A1 NOVEL COMPOUNDS ABCG2, F12, CFTR TRPA1 1324/4885CYP2A6 110/4885CYP1A2 44/4885
US-20090153039-A1 Green electroluminescent compounds and organic electroluminescent device using the same C1S, ACSL3, CCNL2 TRPA1 24/4885CYP2A6 2691/4885CYP1A2 1509/4885
US-10626111-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 TRPA1 784/4885CYP2A6 1014/4885CYP1A2 1902/4885
US-10774077-B2 Substituted 2-imino-1,3-thiazolidin-4-ones as N-arachidonoylethanolamine cellular uptake inhibitors CNR2, CNR1, GPR18 TRPA1 174/4885CYP2A6 505/4885CYP1A2 189/4885

“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.