SCHEMBL1633685

SCHEMBL1633685

O=C(O)CCCCC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.53
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
MAPK1 P28482 1/20 0.48
ADRA1A P35348 1/20 0.48
SLC6A3 Q01959 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL1635914 0.98 HDAC3 (0.53) KIF11HDAC3HDAC4HDAC1HDAC7
Phosphine SCHEMBL29270354 0.98 KIF11 (0.52) KIF11HDAC3HDAC4HDAC1HDAC7
Bromide SCHEMBL9938231 0.96 KIF11 (0.50) KIF11HDAC3HDAC4HDAC1HDAC7
SCHEMBL16468009 0.94 KIF11 (0.55) KIF11HDAC3HDAC4HDAC1HDAC7
SCHEMBL5329346 0.85 KIF11 (0.53) KIF11HDAC3HDAC4HDAC1HDAC7
SCHEMBL11821408 0.85 KIF11 (0.50) KIF11MAPTLMNACYP2C19
SCHEMBL19809495 0.84 KIF11 (0.62) KIF11NPSR1
SCHEMBL30806221 0.84 KIF11 (0.46) KIF11HDAC3HDAC4HDAC1HDAC7
SCHEMBL14360027 0.82 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11496723 0.82 KIF11 (0.47) KIF11MAPTLMNACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20100087541-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS CPT1B, FABP1, CPT1A KIF11 3125/4885HDAC3 152/4885HDAC4 1306/4885
US-20080015254-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS CPT1B, FABP1, CPT1A KIF11 3125/4885HDAC3 152/4885HDAC4 1306/4885
US-20060247309-A1 Compounds for the treatment of metabolic disorders CPT1B, CPT1A, FABP1 KIF11 2276/4885HDAC3 532/4885HDAC4 2096/4885

“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.