SCHEMBL1813428

SCHEMBL1813428

C=Cc1ccc(C(=O)NCCCCCC(=O)O)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.77
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
POLB P06746 3/20 0.54
LMNA P02545 1/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
HDAC6 Q9UBN7 9/20 0.51
HDAC3 O15379 6/20 0.51
HDAC4 P56524 6/20 0.51
HDAC1 Q13547 6/20 0.51
HDAC7 Q8WUI4 6/20 0.51
HDAC2 Q92769 6/20 0.51
HDAC10 Q969S8 6/20 0.51
HDAC11 Q96DB2 6/20 0.51
HDAC8 Q9BY41 6/20 0.51
HDAC9 Q9UKV0 6/20 0.51
HDAC5 Q9UQL6 6/20 0.51
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL13593276 1.00 MAPK1 (0.77) MAPK1CYP1A2CYP2C9CYP2C19POLB
SCHEMBL8744962 0.91 MAPK1 (0.59) MAPK1POLBCA2HDAC6HDAC3
SCHEMBL26417166 0.89 MAPK1 (0.56) MAPK1POLBHDAC6HDAC3HDAC4
SCHEMBL428355 0.87 MAPK1 (1.00) MAPK1CYP1A2CYP2C9CYP2C19POLB
SCHEMBL16688444 0.85 MAPK1 (0.76) MAPK1CYP1A2CYP2C9CYP2C19POLB
SCHEMBL9183154 0.83 MAPK1 (0.90) MAPK1CYP1A2CYP2C9CYP2C19POLB
SCHEMBL5658185 0.81 MAPK1 (0.87) MAPK1CYP1A2CYP2C9CYP2C19POLB
SCHEMBL10659200 0.81 MAPK1 (0.86) MAPK1CYP1A2CYP2C9CYP2C19POLB
SCHEMBL10865398 0.81 MAPK1 (0.86) MAPK1CYP1A2CYP2C9CYP2C19POLB
SCHEMBL5655215 0.81 MAPK1 (0.86) MAPK1CYP1A2CYP2C9CYP2C19POLB

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
US-20150098927-A1 METHODS FOR TREATMENT AND DIAGNOSIS OF CANCER TRASLATIONAL CANCER DRUGS PHARMA, S.L. (ES) 2015-04-09 US disclosed
WO-2011154308-A1 NEW COMPOSITIONS AND CELL THERAPY METHODS FOR THE TREATMENT OF CIRRHOSIS PROYECTO DE BIOMEDICINA CIMA, S.L. (ES) 2011-12-15 WO disclosed
US-20110250179-A1 METHODS FOR TREATMENT AND DIAGNOSIS OF CANCER CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2011-10-13 US disclosed
US-20110212060-A1 USE OF MICROPARTICLES CONTAINING GENETICALLY MODIFIED CELLS IN THE TREATMENT OF NEURODEGENERATIVE DISEASES UNIVERSIDAD DEL PAIS VASCO (ES) 2011-09-01 US disclosed
EP-2322147-A1 USE OF MICROPARTICLES CONTAINING GENETICALLY MODIFIED CELLS IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Universidad del Pais Vasco (ES) 2011-05-18 EP disclosed
EP-2316970-A2 METHODS FOR THE TREATMENT AND DIAGNOSIS OF CANCER Traslational Cancer Drugs Pharma, S.L. (ES) 2011-05-04 EP disclosed
US-20100272812-A1 RGD-MODIFIED ALGINATE MICROPARTICLES AS A DRUG RELEASE SYSTEM UNIVERSIDAD DEL PAIS VASCO (ES) 2010-10-28 US disclosed
EP-2174656-A1 MICROPARTICLES OF ALGINATE MODIFIED WITH RGD AS A RELEASE SYSTEM FOR MEDICINES Universidad del Pais Vasco (ES) 2010-04-14 EP 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 (2 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-20150098927-A1 METHODS FOR TREATMENT AND DIAGNOSIS OF CANCER CHKA, CHKB, CEPT1 MAPK1 1568/4885CYP1A2 4058/4885CYP2C9 4202/4885
US-20110250179-A1 METHODS FOR TREATMENT AND DIAGNOSIS OF CANCER CHKA, CHKB, CEPT1 MAPK1 1568/4885CYP1A2 4058/4885CYP2C9 4202/4885

“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.