SCHEMBL515857

SCHEMBL515857

O=C(O)/C=C/C(=O)NCCCCCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.59
ADRA1A P35348 1/20 0.55
ALDH1A1 P00352 3/20 0.53
POLB P06746 2/20 0.52
TAAR1 Q96RJ0 2/20 0.51
MAPK1 P28482 1/20 0.49
EPHX2 P34913 7/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
PLA2G2A P14555 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL11133362 1.00 PRMT1 (0.59) PRMT1ADRA1AALDH1A1POLBTAAR1
SCHEMBL11133946 1.00 PRMT1 (0.59) PRMT1ADRA1AALDH1A1POLBTAAR1
SCHEMBL11141321 1.00 PRMT1 (0.59) PRMT1ADRA1AALDH1A1POLBTAAR1
SCHEMBL81977 1.00 PRMT1 (0.59) PRMT1ADRA1AALDH1A1POLBTAAR1
SCHEMBL11137045 1.00 PRMT1 (0.59) PRMT1ADRA1AALDH1A1POLBTAAR1
SCHEMBL24686717 1.00 PRMT1 (0.59) PRMT1ADRA1AALDH1A1POLBTAAR1
SCHEMBL8779381 1.00 PRMT1 (0.59) PRMT1ADRA1AALDH1A1POLBTAAR1
SCHEMBL8779450 1.00 PRMT1 (0.59) PRMT1ADRA1AALDH1A1POLBTAAR1
SCHEMBL8779440 1.00 PRMT1 (0.59) PRMT1ADRA1AALDH1A1POLBTAAR1
SCHEMBL11136996 1.00 PRMT1 (0.59) PRMT1ADRA1AALDH1A1POLBTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210128740-A1 HDAC INHIBITORS-BASED ANTIBODY DRUG CONJUGATES (ADCs) AND USE IN THERAPY ALFASIGMA S.P.A. (IT) 2021-05-06 US disclosed
EP-3600444-A1 HDAC INHIBITORS-BASED ANTIBODY DRUG CONJUGATES (ADCs) AND USE IN THERAPY Alfasigma S.p.A. (IT) 2020-02-05 EP disclosed
CN-110475572-A Antibody drug conjugate (ADC) based on hdac inhibitor and the purposes in therapy ALFASIGMA SPA 2019-11-19 CN disclosed
WO-2018178060-A1 HDAC INHIBITORS-BASED ANTIBODY DRUG CONJUGATES (ADCs) AND USE IN THERAPY ALFASIGMA S.P.A. (IT) 2018-10-04 WO disclosed
EP-3381474-A1 HISTONE DEACETYLASE INHIBITORS-BASED ANTIBODY DRUG CONJUGATES (ADCS) AND USE IN THERAPY Alfasigma S.p.A. (IT) 2018-10-03 EP disclosed
EP-1534269-B1 OXIME CONJUGATES AND METHODS FOR THEIR FORMATION AND USE GEN HOSPITAL CORP (US) 2013-10-30 EP disclosed
US-8361442-B2 Oxime conjugates and methods for their formation and use THE GENERAL HOSPITAL CORPORATION (US) 2013-01-29 US disclosed
US-20120027680-A1 OXIME CONJUGATES AND METHODS FOR THEIR FORMATION AND USE THE GENERAL HOSPITAL CORPORATION (US) 2012-02-02 US disclosed
US-8030459-B2 Oxime conjugates and methods for their formation and use THE GENERAL HOSPITAL CORPORATION (US) 2011-10-04 US disclosed
US-20060058513-A1 Oxime conjugates and methods for their formation and use ENERGY, UNITED STATES DEPARTMENT OF 2006-03-16 US disclosed
EP-1534269-A1 OXIME CONJUGATES AND METHODS FOR THEIR FORMATION AND USE THE GENERAL HOSPITAL CORPORATION (US) 2005-06-01 EP disclosed
WO-2004009082-A1 OXIME CONJUGATES AND METHODS FOR THEIR FORMATION AND USE THE GENERAL HOSPITAL CORPORATION (US) 2004-01-29 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 (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-20060058513-A1 Oxime conjugates and methods for their formation and use GNE, OGA, SORD PRMT1 2540/4885ADRA1A 2745/4885ALDH1A1 108/4885
US-20210128740-A1 HDAC INHIBITORS-BASED ANTIBODY DRUG CONJUGATES (ADCs) AND USE IN THERAPY ERBB3, HDAC6, ERBB2 PRMT1 1193/4885ADRA1A 3407/4885ALDH1A1 1532/4885
US-20120027680-A1 OXIME CONJUGATES AND METHODS FOR THEIR FORMATION AND USE GNE, SORD, OGA PRMT1 2573/4885ADRA1A 2705/4885ALDH1A1 107/4885

“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.