SCHEMBL1491996

SCHEMBL1491996

CCCC(C=O)CC(C)CC=O

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL1389490 0.83 TSHR (0.46) TSHRSMN1; SMN2ALDH1A1
SCHEMBL10834880 0.82 TSHR (0.52) TSHRSMN1; SMN2
SCHEMBL1783884 0.80 TSHR (0.39) TSHRALDH1A1
SCHEMBL5134464 0.80
SCHEMBL9770253 0.78 TSHR (0.44) TSHRSMN1; SMN2ALDH1A1
SCHEMBL28054197 0.77
SCHEMBL231950 0.77
SCHEMBL7753360 0.77 TSHR (0.43) TSHRSMN1; SMN2ALDH1A1
SCHEMBL28176167 0.76 TSHR (0.43) TSHRSMN1; SMN2ALDH1A1
SCHEMBL13042431 0.74 TSHR (0.41) TSHRSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012177469-A1 PRODUCTION OF HYDROXY ETHER HYDROCARBONS BY LIQUID PHASE HYDROGENOLYSIS OF CYCLIC ACETALS OR CYCLIC KETALS EASTMAN CHEMICAL COMPANY (US) 2012-12-27 WO claimed
WO-2012177591-A1 NICKEL MODIFIED CATALYST FOR THE PRODUCTION OF HYDROXY ETHER HYDROCARBONS BY VAPOR PHASE HYDROGENOLYSIS OF CYCLIC ACETALS AND KETALS EASTMAN CHEMICAL COMPANY (US) 2012-12-27 WO disclosed
WO-2012177484-A1 CATALYSTS FOR THE PRODUCTION OF HYDROXY ETHER HYDROCARBONS BY VAPOR PHASE HYDROGENOLYSIS OF CYCLIC ACETALS AND KETALS EASTMAN CHEMICAL COMPANY (US) 2012-12-27 WO disclosed
WO-2012177485-A1 PRODUCTION OF CYCLIC ACETALS OR KETALS USING LIQUID-PHASE ACID CATALYSTS EASTMAN CHEMICAL COMPANY (US) 2012-12-27 WO disclosed
WO-2012177602-A1 PRODUCTION OF HYDROXY ETHER HYDROCARBONS BY VAPOR PHASE HYDROGENOLYSIS OF CYCLIC ACETALS AND KETALS EASTMAN CHEMICAL COMPANY (US) 2012-12-27 WO disclosed
WO-2012177469-A1 PRODUCTION OF HYDROXY ETHER HYDROCARBONS BY LIQUID PHASE HYDROGENOLYSIS OF CYCLIC ACETALS OR CYCLIC KETALS EASTMAN CHEMICAL COMPANY (US) 2012-12-27 WO disclosed
WO-2012177417-A1 PRODUCTION OF CYCLIC ACETALS OR KETALS USING SOLID ACID CATALYSTS EASTMAN CHEMICAL COMPANY (US) 2012-12-27 WO disclosed
US-7906688-B2 Calixarene bisphosphite ligand for use in hydroformylation processes DOW GLOBAL TECHNOLOGIES INC. 2011-03-15 US disclosed
US-20100044628-A1 CALIXARENE BISPHOSPHITE LIGAND FOR USE IN HYDROFORMYLATION PROCESSES DOW GLOBAL TECHNOLOGIES LLC 2010-02-25 US disclosed
WO-2008124468-A1 A CALIXARENE BISPHOSPHITE LIGAND FOR USE IN HYDROFORMYLATION PROCESSES DOW GLOBAL TECHNOLOGIES INC. (US) 2008-10-16 WO 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-20100044628-A1 CALIXARENE BISPHOSPHITE LIGAND FOR USE IN HYDROFORMYLATION PROCESSES CALU, PFKFB3, PFKFB4 TSHR 3322/4885SMN1; SMN2 3591/4885ALDH1A1 313/4885

“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.