SCHEMBL6901427

SCHEMBL6901427

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
DAO P14920 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.39
YTHDF3 Q7Z739 1/20 0.39
YTHDF1 Q9BYJ9 1/20 0.39
YTHDF2 Q9Y5A9 1/20 0.39
GPR84 Q9NQS5 6/20 0.37
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
MAP4K4 O95819 1/20 0.37
ABL1 P00519 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
MET P08581 1/20 0.37
FGFR1 P11362 1/20 0.37
PDGFRA P16234 1/20 0.37
FLT1 P17948 1/20 0.37
LTK P29376 1/20 0.37

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
SCHEMBL28263698 0.82 CA1 (0.46) CA1ALDH1A1LMNACYP1A2YTHDF3
SCHEMBL10729798 0.82 CA1 (0.46) CA1ALDH1A1LMNACYP1A2YTHDF3
SCHEMBL14514287 0.77 SMN1; SMN2 (0.54) CA1DAOALDH1A1LMNACHEK1
SCHEMBL27317367 0.77 CA1 (0.42) CA1ALDH1A1LMNACYP1A2YTHDF3
SCHEMBL25136295 0.76 CA1 (0.44) CA1ALDH1A1LMNACYP1A2YTHDF3
SCHEMBL27661275 0.76 ALDH1A1 (0.45) CA1ALDH1A1LMNACYP1A2YTHDF3
SCHEMBL18412738 0.74 DAO (0.39) CA1DAOALDH1A1LMNAGPR84
SCHEMBL11471145 0.74 DAO (0.39) CA1DAOALDH1A1LMNACYP1A2
SCHEMBL3060311 0.73 GPR84 (0.46) DAOGPR84
SCHEMBL7436503 0.70

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 29 patents — showing the first 20. 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-20240067641-A1 INHIBITORS OF TRIM33 AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-02-29 US disclosed
US-20230293524-A1 OTIC FORMULATIONS FOR DRUG-INDUCED OTOTOXICITY SPIRAL THERAPEUTICS INC. 2023-09-21 US disclosed
US-20230174505-A1 DERIVATIZED BENZIMIDAZOLE COMPOUNDS, THEIR SALTS, THEIR COMPLEXES, THEIR PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USING THEM FOR ANTIGERIATRIC ACTIONS FARBER BORIS (US) 2023-06-08 US disclosed
US-11236082-B2 EZH2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-01 US disclosed
US-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-29 US disclosed
US-10702527-B2 Combination therapy of transcription inhibitors and kinase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-07-07 US disclosed
US-10590158-B2 Total synthesis of shishijimicin A and analogs thereof WILLIAM MARSH RICE UNIVERSITY (US) 2020-03-17 US disclosed
US-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE PETER MACCALLUM CANCER INSTITUTE (AU) 2019-06-27 US disclosed
EP-2958919-B1 DIHYDROPTERIDINONES I BOEHRINGER INGELHEIM INT (DE) 2019-05-22 EP disclosed
US-20160229811-A1 TETRA-ARYL CYCLOBUTANE INHIBITORS OF ANDROGEN RECEPTOR ACTION FOR THE TREATMENT OF HORMONE REFRACTORY CANCER DUKE UNIVERSITY 2016-08-11 US disclosed
US-9006226-B2 Dihydropteridinones I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 US disclosed
US-9006226-B2 Dihydropteridinones I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 US disclosed
WO-2014127815-A1 DIHYDROPTERIDINONES I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-28 WO disclosed
US-20130225549-A1 DIHYDROPTERIDINONES I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 US disclosed
US-20130225549-A1 DIHYDROPTERIDINONES I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 US disclosed
US-8288381-B2 N-9 substituted purine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-10-16 US disclosed
US-20110086840-A1 N-7 SUBSTITUTED PURINE AND PYRAZOLOPYRIMINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2011-04-14 US disclosed
US-20110086840-A1 N-7 SUBSTITUTED PURINE AND PYRAZOLOPYRIMINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2011-04-14 US disclosed
US-4014677-A HERBICIDES CIBA-GEIGY CORPORATION (US) 1977-03-29 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 (11 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-20160229811-A1 TETRA-ARYL CYCLOBUTANE INHIBITORS OF ANDROGEN RECEPTOR ACTION FOR THE TREATMENT OF HORMONE REFRACTORY CANCER AR, FSHR, ESRRB CA1 3060/4885DAO 3221/4885ALDH1A1 2136/4885
US-10590158-B2 Total synthesis of shishijimicin A and analogs thereof SYK, UGT1A7, FCGRT CA1 2591/4885DAO 994/4885ALDH1A1 809/4885
US-10702527-B2 Combination therapy of transcription inhibitors and kinase inhibitors CHUK, BCOR, MYC CA1 4416/4885DAO 4165/4885ALDH1A1 3413/4885
US-20130225549-A1 DIHYDROPTERIDINONES I BACE1, APP, BACE2 CA1 1329/4885DAO 2964/4885ALDH1A1 2968/4885
US-20230174505-A1 DERIVATIZED BENZIMIDAZOLE COMPOUNDS, THEIR SALTS, THEIR COMPLEXES, THEIR PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USING THEM FOR ANTIGERIATRIC ACTIONS PPARG, AGER, PPARD CA1 4851/4885DAO 2306/4885ALDH1A1 1165/4885
US-20240067641-A1 INHIBITORS OF TRIM33 AND METHODS OF USE TRIM33, TRIM28, TRIM4 CA1 4391/4885DAO 4312/4885ALDH1A1 3246/4885
US-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE BRD4, BRD3, BRPF3 CA1 2442/4885DAO 4117/4885ALDH1A1 3317/4885
US-20110086840-A1 N-7 SUBSTITUTED PURINE AND PYRAZOLOPYRIMINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE P2RX7, P2RY1, PNP CA1 3263/4885DAO 527/4885ALDH1A1 349/4885
US-11236082-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 CA1 3820/4885DAO 3310/4885ALDH1A1 1655/4885
US-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC CA1 4416/4885DAO 4165/4885ALDH1A1 3413/4885
US-20230293524-A1 OTIC FORMULATIONS FOR DRUG-INDUCED OTOTOXICITY OTC, SLC26A4, OAT CA1 1086/4885DAO 1899/4885ALDH1A1 121/4885

“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.