SCHEMBL3487018

SCHEMBL3487018

CCCCCC(=O)Nc1c(C)cccc1C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.76
HDAC4 P56524 3/20 0.76
HDAC1 Q13547 3/20 0.76
HDAC7 Q8WUI4 3/20 0.76
HDAC2 Q92769 3/20 0.76
HDAC10 Q969S8 3/20 0.76
HDAC11 Q96DB2 3/20 0.76
HDAC8 Q9BY41 3/20 0.76
HDAC6 Q9UBN7 3/20 0.76
HDAC9 Q9UKV0 3/20 0.76
HDAC5 Q9UQL6 3/20 0.76
LMNA P02545 4/20 0.57
MAPT P10636 3/20 0.57
SCN3A Q9NY46 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 2/20 0.57
SCN1A P35498 2/20 0.57

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
SCHEMBL14263853 0.95 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23931837 0.88 HDAC6 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7227453 0.87 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10984451 0.87 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10986752 0.87 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10979518 0.87 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6916194 0.86 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL26646020 0.85 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31686083 0.85 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9706454 0.85 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111965279-B Method for measuring bupivacaine and impurity content thereof 浙江圣兆药物科技股份有限公司 2022-07-08 CN disclosed
US-9012419-B2 Methods and compositions related to eosinophil regulation UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2015-04-21 US disclosed
US-9012419-B2 Methods and compositions related to eosinophil regulation UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2015-04-21 US disclosed
US-9012419-B2 Methods and compositions related to eosinophil regulation UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2015-04-21 US disclosed
US-20100016410-A1 Methods and Compositions Related to Eosinophil Regulation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-21 US disclosed
US-20100016410-A1 Methods and Compositions Related to Eosinophil Regulation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-21 US disclosed
US-20100016410-A1 Methods and Compositions Related to Eosinophil Regulation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-21 US disclosed
WO-2007136707-A2 METHODS AND COMPOSITIONS RELATED TO EOSINOPHIL REGULATION UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2007-11-29 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 (1 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-20100016410-A1 Methods and Compositions Related to Eosinophil Regulation EPX, CCL11, ELANE HDAC3 659/4885HDAC4 2060/4885HDAC1 1468/4885

“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.