SCHEMBL7764663

SCHEMBL7764663

CC(C)(C)c1cc(=O)[nH]c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.56
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
DAO P14920 1/20 0.40
CYP1A2 P05177 1/20 0.39
GPR84 Q9NQS5 7/20 0.39
YTHDF3 Q7Z739 1/20 0.39
YTHDF1 Q9BYJ9 1/20 0.39
YTHDF2 Q9Y5A9 1/20 0.39
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LPO P22079 1/20 0.37
PTGS1 P23219 1/20 0.37
TP53 P04637 1/20 0.34

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
SCHEMBL30839876 0.82 CA1 (0.46) CA1ALDH1A1LMNACYP1A2GPR84
SCHEMBL4890761 0.82 CA1 (0.46) CA1ALDH1A1LMNACYP1A2GPR84
Hydrochloric Acid SCHEMBL10659272 0.80 CA1 (0.45) CA1ALDH1A1LMNACYP1A2GPR84
SCHEMBL628335 0.76 CA1 (0.44) CA1ALDH1A1LMNACYP1A2YTHDF3
SCHEMBL11726927 0.76 CA1 (0.44) CA1ALDH1A1LMNACYP1A2GPR84
SCHEMBL29707614 0.74 CA1 (0.43) CA1ALDH1A1LMNACYP1A2YTHDF3
SCHEMBL18701493 0.74 CA1 (0.43) CA1ALDH1A1LMNADAOCYP1A2
SCHEMBL13268569 0.74 GPR84 (0.47) CA1DAOGPR84
SCHEMBL10256269 0.74 GABRA1 (0.41) CA1ALDH1A1LMNADAOGPR84
SCHEMBL29779360 0.73 CA1 (0.41) CA1ALDH1A1LMNACYP1A2GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117957328-A Polynucleotide and use thereof 斯特兰德生物科技公司 2024-04-30 CN disclosed
US-20230339958-A1 NON-HYDRATED KETONE INHIBITORS OF NAV1.7 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. 2023-10-26 US disclosed
US-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 US disclosed
US-11679093-B2 2-naphthimidamides, analogues thereof, and methods of treatment using same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2023-06-20 US disclosed
US-20220175808-A1 GALACTOPYRANOSYL-CYCLOHEXYL DERIVATIVES AS E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2022-06-09 US disclosed
US-20220009938-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. 2022-01-13 US disclosed
US-11197877-B2 Galactopyranosyl-cyclohexyl derivauves as E-selectin antagonists GLYCOMIMETICS. INC. (US) 2021-12-14 US disclosed
US-20210251942-A1 2-NAPHTHIMIDAMIDES, ANALOGUES THEREOF, AND METHODS OF TREATMENT USING SAME UNIV COLORADO REGENTS (US) 2021-08-19 US disclosed
US-20200255422-A1 INHIBITORS OF TRIM33 AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-08-13 US disclosed
US-20200129536-A1 GALACTOPYRANOSYL-CYCLOHEXYL DERIVATIVES AS E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2020-04-30 US disclosed
US-20180200253-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2018-07-19 US disclosed
US-20180200253-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2018-07-19 US disclosed
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2017-06-15 US disclosed
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2017-06-15 US disclosed
US-9617275-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2017-04-11 US disclosed
US-9617275-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2017-04-11 US disclosed
US-20150344490-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2015-12-03 US disclosed
US-7935131-B2 Shape memory polymers UNIVERSITY OF ROCHESTER (US) 2011-05-03 US disclosed
US-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-12-30 US disclosed
US-20080177303-A1 Shape memory polymers ROCHESTER, UNIVERSITY OF 2008-07-24 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 (13 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-20220175808-A1 GALACTOPYRANOSYL-CYCLOHEXYL DERIVATIVES AS E-SELECTIN ANTAGONISTS SELE, SELPLG, SELP CA1 2612/4885ALDH1A1 636/4885LMNA 1122/4885
US-11197877-B2 Galactopyranosyl-cyclohexyl derivauves as E-selectin antagonists SELE, SELPLG, SELP CA1 2188/4885ALDH1A1 371/4885LMNA 890/4885
US-11731967-B2 Inhibitors of TRIM33 and methods of use TRIM33, TRIM28, TRIM4 CA1 4391/4885ALDH1A1 3246/4885LMNA 1670/4885
US-20180200253-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands COMT, DRD2, NR3C1 CA1 4535/4885ALDH1A1 2144/4885LMNA 3882/4885
US-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, PIK3CA, RICTOR CA1 4701/4885ALDH1A1 4645/4885LMNA 3958/4885
US-20150344490-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, ADRA1D, ADRB1 CA1 4442/4885ALDH1A1 1063/4885LMNA 4191/4885
US-20200255422-A1 INHIBITORS OF TRIM33 AND METHODS OF USE TRIM33, TRIM28, TRIM4 CA1 4391/4885ALDH1A1 3246/4885LMNA 1670/4885
US-20230339958-A1 NON-HYDRATED KETONE INHIBITORS OF NAV1.7 FOR THE TREATMENT OF PAIN SCN7A, SCN10A, HCN3 CA1 689/4885ALDH1A1 2668/4885LMNA 893/4885
US-11679093-B2 2-naphthimidamides, analogues thereof, and methods of treatment using same TMPRSS2, TMPRSS4, TMPRSS15 CA1 1394/4885ALDH1A1 2417/4885LMNA 428/4885
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, DRD3, ADRB1 CA1 4807/4885ALDH1A1 3584/4885LMNA 3637/4885
US-20210251942-A1 2-NAPHTHIMIDAMIDES, ANALOGUES THEREOF, AND METHODS OF TREATMENT USING SAME TMPRSS2, TMPRSS4, TMPRSS15 CA1 1394/4885ALDH1A1 2417/4885LMNA 428/4885
US-20200129536-A1 GALACTOPYRANOSYL-CYCLOHEXYL DERIVATIVES AS E-SELECTIN ANTAGONISTS SELE, SELPLG, SELP CA1 2612/4885ALDH1A1 636/4885LMNA 1122/4885
US-20220009938-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SCN11A, SCN10A, SCN3A CA1 1138/4885ALDH1A1 3205/4885LMNA 1044/4885

“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.