SCHEMBL4905932

SCHEMBL4905932

CC(C)c1cc(C(F)(F)F)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.49
RORC P51449 1/20 0.49
HSP90AA1 P07900 2/20 0.47
HSP90AB1 P08238 2/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
NQO2 P16083 1/20 0.42
TRPA1 O75762 1/20 0.39
LMNA P02545 1/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A2 P23975 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
PTGS2 P35354 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL4917596 0.85 RORC (0.46) PDE2ARORCHSP90AA1HSP90AB1GABRA1
SCHEMBL3684221 0.85 RORC (0.46) PDE2ARORCHSP90AA1HSP90AB1GABRA1
SCHEMBL1660124 0.84 LMNA (0.53) PDE2ARORCHSP90AA1HSP90AB1MEN1
SCHEMBL4910562 0.83 RORC (0.72) PDE2ARORCMEN1KMT2ANQO2
SCHEMBL29350897 0.82 RORC (0.70) RORCHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL29395733 0.82 RORC (0.70) RORCHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL5166157 0.82 ALDH1A1 (0.59) RORCHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL124727 0.82 RORC (0.70) RORCHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL12889906 0.81 PDE2A (0.53) PDE2AHSP90AA1HSP90AB1HTR2BALDH1A1
SCHEMBL11180575 0.80 RORC (0.68) RORCHSP90AA1HSP90AB1MEN1KMT2A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-05-26 US disclosed
US-20210238183-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS SUMITOMO PHARMA AMERICA, INC. 2021-08-05 US disclosed
US-10875864-B2 Substituted imidazo[1,2-B]pyridazines as protein kinase inhibitors SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2020-12-29 US disclosed
US-20170137415-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE GATED SODIUM CHANNEL MODULATORS LUPIN LIMITED (IN) 2017-05-18 US disclosed
EP-3126360-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE GATED SODIUM CHANNEL MODULATORS Lupin Limited (IN) 2017-02-08 EP disclosed
US-20170002014-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS SUMITOMO PHARMA AMERICA, INC. 2017-01-05 US disclosed
US-9416132-B2 Substituted imidazo[1,2-b]pyridazines as protein kinase inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2016-08-16 US disclosed
WO-2015151001-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE GATED SODIUM CHANNEL MODULATORS LUPIN LIMITED (IN) 2015-10-08 WO disclosed
US-20140329807-A1 HETEROCYCLIC PROTEIN KINASE INHIBITORS TOLERO PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-8710057-B2 Imidazo[1,2-B]pyridazine and pyrazolo[1 .5-A]pyrimidine derivatives and their use as protein kinase inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2014-04-29 US disclosed
US-7312250-B2 Fluorine-substituted alkyl phenol compounds and their uses UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2007-12-25 US disclosed
WO-2003077894-A1 FLUORINE-SUBSTITUTED ALKYL PHENOL COMPOUNDS AND THEIR USES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2003-09-25 WO disclosed
US-20030176513-A1 Fluorine-substituted alkyl phenol compounds and their uses IOWA RESEARCH FOUNDATION, UNIVERSITY OF 2003-09-18 US disclosed
US-5008425-A Trifluoromethylation of carbonyl compounds ETHYL CORPORATION (US) 1991-04-16 US disclosed
EP-0336371-A2 Gem-disubstituted cyclohexadienones and their production ETHYL CORPORATION (US) 1989-10-11 EP disclosed
US-4871877-A Gem-disubstituted cyclohexadienones and their production ETHYL CORPORATION (US) 1989-10-03 US disclosed
US-4845258-A Production of gem-disubstituted cyclohexadienones ETHYL CORPORATION (US) 1989-07-04 US disclosed
US-4804774-A Production of gem-disubstituted cyclohexadienones ETHYL CORPORATION (US) 1989-02-14 US disclosed
US-4804772-A Gem-disubstituted cyclohexadienones and their production ETHYL CORPORATION (US) 1989-02-14 US disclosed
US-4804773-A Production of gem-disubstituted cyclohexadienones ETHYL CORPORATION (US) 1989-02-14 US 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 (7 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-20030176513-A1 Fluorine-substituted alkyl phenol compounds and their uses AFF4, AFF1, AFF2 PDE2A 1999/4885RORC 278/4885HSP90AA1 3613/4885
US-10875864-B2 Substituted imidazo[1,2-B]pyridazines as protein kinase inhibitors PIM2, PIM1, PIM3 PDE2A 1872/4885RORC 1897/4885HSP90AA1 1514/4885
US-20210238183-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 PDE2A 1923/4885RORC 839/4885HSP90AA1 3860/4885
US-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF ADSL, SLC35B2, ADORA1 PDE2A 1495/4885RORC 1616/4885HSP90AA1 1577/4885
US-20140329807-A1 HETEROCYCLIC PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 PDE2A 1967/4885RORC 1213/4885HSP90AA1 2456/4885
US-20170137415-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE GATED SODIUM CHANNEL MODULATORS SCN7A, SCN1A, SCN5A PDE2A 990/4885RORC 3464/4885HSP90AA1 2929/4885
US-20170002014-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 PDE2A 1923/4885RORC 839/4885HSP90AA1 3860/4885

“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.