SCHEMBL1635914

SCHEMBL1635914

O=C(O)CCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
MAPT P10636 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
KIF11 P52732 6/20 0.52
NPSR1 Q6W5P4 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 3/20 0.46

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
SCHEMBL1633685 0.98 KIF11 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
Phosphine SCHEMBL29270354 0.96 KIF11 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
Bromide SCHEMBL9938231 0.94 KIF11 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16468009 0.92 KIF11 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19809495 0.86 KIF11 (0.62) KIF11NPSR1
SCHEMBL9874219 0.84 KIF11 (0.55) MAPTKIF11LMNAL3MBTL1TDP1
SCHEMBL5329346 0.84 KIF11 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11821408 0.83 KIF11 (0.50) MAPTKIF11LMNAL3MBTL1TDP1
SCHEMBL8046930 0.82 HDAC6 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30806221 0.82 KIF11 (0.46) 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
US-8916131-B2 Radiopharmaceutical composition GE HEALTHCARE LIMITED (GB) 2014-12-23 US disclosed
US-20140303081-A1 APOPTOSIS-TARGETING NANOPARTICLES University of Georgia Foundation, Inc. (US) 2014-10-09 US disclosed
US-7932290-B2 Method for the treatment of metabolic disorders WELLSTAT BIOLOGICS CORPORATION (US) 2011-04-26 US disclosed
US-20100087541-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2010-04-08 US disclosed
US-7615575-B2 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2009-11-10 US disclosed
US-7605181-B2 Method for the treatment of metabolic disorders Wellstat Therapeutics Orporation (US) 2009-10-20 US disclosed
US-20080015254-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2008-01-17 US disclosed
US-20060247309-A1 Compounds for the treatment of metabolic disorders PHARMA CINQ, LLC 2006-11-02 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 (4 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-20140303081-A1 APOPTOSIS-TARGETING NANOPARTICLES AIFM1, BAX, BCL2 HDAC3 2044/4885HDAC4 2788/4885HDAC1 1941/4885
US-20100087541-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS CPT1B, FABP1, CPT1A HDAC3 152/4885HDAC4 1306/4885HDAC1 347/4885
US-20080015254-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS CPT1B, FABP1, CPT1A HDAC3 152/4885HDAC4 1306/4885HDAC1 347/4885
US-20060247309-A1 Compounds for the treatment of metabolic disorders CPT1B, CPT1A, FABP1 HDAC3 532/4885HDAC4 2096/4885HDAC1 578/4885

“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.