SCHEMBL779666

SCHEMBL779666

Fc1ccc(C2CCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KDM1A O60341 2/20 0.44
ESR2 Q92731 2/20 0.42
NOTUM Q6P988 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
HSP90AA1 P07900 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAP1LC3B Q9GZQ8 1/20 0.39
HAO1 Q9UJM8 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL126027 0.97 ATM (0.45) ATMHDAC1HDAC8HDAC6KDM1A
SCHEMBL18805040 0.97 ATM (0.45) ATMHDAC1HDAC8HDAC6KDM1A
SCHEMBL353495 0.95 ESR2 (0.47) ATMHDAC1HDAC8HDAC6KDM1A
Benzene SCHEMBL26615260 0.93 SLC18A3 (0.46) ATMHDAC1HDAC8HDAC6LMNA
SCHEMBL15906653 0.91 NOTUM (0.47) ATMNOTUMLMNAHTTHSP90AA1
SCHEMBL1066184 0.89 KDM1A (0.48) ATMKDM1AESR2TDP1MAP1LC3B
SCHEMBL18161913 0.89 KDM1A (0.48) ATMKDM1AESR2TDP1MAP1LC3B
Bicarbonate SCHEMBL9321721 0.87 HAO1 (0.51) ATMHDAC1HDAC8HDAC6HTT
SCHEMBL26154104 0.87 PARP10 (0.50) KDM1AHAO1SLC6A2HTR2ASLC6A4
Ammonia Solution, Strong SCHEMBL22408764 0.86 KDM1A (0.46) ATMKDM1AESR2MAP1LC3BSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105593214-B Method for synthesizing N-benzyl-N-cyclopropyl-1H-pyrazole-4-formamide derivative 拜耳作物科学股份公司 2018-05-29 CN claimed
US-8372854-B2 Pyrrolo[2,3-D]pyrimidine compounds PFIZER INC. (US) 2013-02-12 US claimed
EP-2513114-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS Pfizer Inc. (US) 2012-10-24 EP claimed
US-20110294826-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS PFIZER INC. (US) 2011-12-01 US claimed
WO-2011075334-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS PFIZER INC. (US) 2011-06-23 WO claimed
WO-2010131147-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO claimed
WO-2010131146-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO claimed
WO-2010131145-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO claimed
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
US-20220149436-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2022-05-12 US disclosed
US-11283107-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2022-03-22 US disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO disclosed
US-7271184-B2 Acyclic and cyclic guanidine- and acetamidine derivatives, their preparation and their use as pesticides, esp. as parasiticides NOVARTIS ANIMAL HEALTH US, INC. (US) 2007-09-18 US disclosed
CN-1177823-C Pesticides ��˹��ŵ�� 2004-12-01 CN disclosed
US-6759407-B2 A VETERINARY MEDICINE FOR CONTROLLING PARASITES AND PESTS ON ANIMALS NOVARTIS ANIMAL HEALTH US, INC. 2004-07-06 US disclosed
EP-1131292-A2 ACYCLIC AND CYCLIC GUANIDINE- AND ACETAMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PESTICIDES, ESP. AS PARASITICIDES Novartis AG (CH) 2001-09-12 EP disclosed
WO-2000029378-A2 ACYCLIC AND CYCLIC GUANIDINE- AND ACETAMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PESTICIDES, ESP. AS PARASITICIDES NOVARTIS AG (CH) 2000-05-25 WO 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 (3 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-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP ATM 1497/4885HDAC1 1240/4885HDAC8 896/4885
US-20110294826-A1 PYRROLO[2,3-D]PYRIMIDINE COMPOUNDS JAK3, JAK1, JAK2 ATM 781/4885HDAC1 2627/4885HDAC8 3039/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP ATM 1497/4885HDAC1 1240/4885HDAC8 896/4885

“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.