SCHEMBL3098117

SCHEMBL3098117

CCCCCCCCCCCCCCCC(CC)CCS

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 2/20 0.43
CYP3A4 P08684 2/20 0.43
OPRM1 P35372 1/20 0.42
CA2 P00918 2/20 0.41
DNM1 Q05193 5/20 0.39
THRB P10828 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
GPR84 Q9NQS5 1/20 0.35

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
SCHEMBL4610393 1.00 LMNA (0.50) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL1110032 0.98 ALDH1A1 (0.46) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL25751411 0.91 LMNA (0.50) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL8883429 0.91 LMNA (0.50) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL1110056 0.91 LMNA (0.50) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL4608593 0.91 LMNA (0.50) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL1110043 0.91 LMNA (0.50) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL8885551 0.91 LMNA (0.50) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL23327936 0.90 LMNA (0.54) LMNAALDH1A1TSHROPRM1DNM1
SCHEMBL8838781 0.90 ALDH1A1 (0.54) LMNAALDH1A1TDP1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279963-A1 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE, LLC (US) 2010-11-04 US disclosed
US-7799954-B2 Dicarbonyl derivatives and methods of use ABRAXIS BIOSCIENCE, LLC (US) 2010-09-21 US disclosed
EP-2125694-A2 DICARBONYL DERIVATIVES AND METHODS OF USE Abraxis BioScience, Inc. (US) 2009-12-02 EP disclosed
US-20080146586-A1 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE (US) 2008-06-19 US disclosed
WO-2008064060-A2 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE, INC. (US) 2008-05-29 WO disclosed
US-5650430-A Radicicol derivatives, their preparation and their anti-tumor activity SANKYO COMPANY, LIMITED (JP) 1997-07-22 US disclosed
US-5597846-A ESTERS OF RADICICOL SANKYO COMPANY, LIMITED (JP) 1997-01-28 US disclosed
WO-1991018905-A1 RADICICOL DERIVATIVES, THEIR PREPARATION AND THEIR ANTI-TUMOR ACTIVITY SANKYO COMPANY LIMITED (JP) 1991-12-12 WO disclosed
EP-0460950-A1 Radicicol derivatives, their preparation and their anti-tumour activity Sankyo Company Limited (JP) 1991-12-11 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-20080146586-A1 DICARBONYL DERIVATIVES AND METHODS OF USE AADAC, DCK, MLYCD LMNA 2382/4885ALDH1A1 1688/4885TDP1 2676/4885
US-20100279963-A1 DICARBONYL DERIVATIVES AND METHODS OF USE AADAC, DCK, MLYCD LMNA 2382/4885ALDH1A1 1688/4885TDP1 2676/4885

“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.