SCHEMBL9949236

SCHEMBL9949236

CC(C)C(CO)NCCNC(CO)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CNR1 P21554 1/20 0.42
ADRA1A P35348 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ABCC3 O15438 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.37
TRPV3 Q8NET8 12/20 0.36

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
SCHEMBL2924806 0.89 TRPV3 (0.34) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL10496398 0.87 LMNA (0.37) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL3429247 0.85 ALDH1A1 (0.36) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL13519644 0.85 TSHR (0.36) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL11922823 0.83 ALDH1A1 (0.46) LMNATDP1CNR1ADRA1AKDM4E
SCHEMBL15896620 0.82
SCHEMBL13531798 0.81 SLC6A4 (0.34) TRPV3
SCHEMBL3429243 0.81 KDM4E (0.34) KDM4ETRPV3
SCHEMBL20144720 0.81 ALDH1A1 (0.53) LMNACNR1KDM4ESMN1; SMN2TSHR
SCHEMBL10282636 0.80

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
EP-2782921-B1 ORGANIC TUNGSTEN COMPLEXES VANDERBILT CHEMICALS LLC (US) 2018-05-02 EP disclosed
EP-2782921-A1 ORGANIC TUNGSTEN COMPLEXES Vanderbilt Chemicals, LLC (US) 2014-10-01 EP disclosed
EP-2782454-A2 SYSTEM AND PROCESS FOR CREATING MEDIUM VISCOSITY FOOD OR PERSONAL CARE PRODUCTS BY RAPID REHYDRATION Comaker LLC (US) 2014-10-01 EP disclosed
CN-103958536-A Organic tungsten complexes VANDERBILT CHEMICALS LLC 2014-07-30 CN disclosed
US-8669386-B2 Organic tungsten complexes VANDEBILT CHEMICALS, LLC (US) 2014-03-11 US disclosed
WO-2013078379-A2 SYSTEM AND PROCESS FOR CREATING MEDIUM VISCOSITY FOOD OR PERSONAL CARE PRODUCTS BY RAPID REHYDRATION COMAKER LLC (US) 2013-05-30 WO disclosed
WO-2013077948-A1 ORGANIC TUNGSTEN COMPLEXES VANDERBILT CHEMICALS, LLC. (US) 2013-05-30 WO disclosed
US-20120165563-A1 ORGANIC TUNGSTEN COMPLEXES R.T. VANDERBILT COMPANY, INC. 2012-06-28 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 (1 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-20120165563-A1 ORGANIC TUNGSTEN COMPLEXES ADH5, ELOVL5, ALOX5 LMNA 4555/4885TDP1 3809/4885CNR1 1857/4885

“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.