SCHEMBL6526152

SCHEMBL6526152

CCOC(=O)CC(C)CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
F2 P00734 2/20 0.53
F10 P00742 2/20 0.53
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
FAAH O00519 1/20 0.47
ALOX5 P09917 1/20 0.47
ABCB1 P08183 1/20 0.46
PPID Q08752 1/20 0.46
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL2307536 0.86 F2 (0.49) SMN1; SMN2F2F10CYP4F2CYP4A11
SCHEMBL18065683 0.86 F2 (0.54) SMN1; SMN2F2F10TSHRALDH1A1
SCHEMBL7712795 0.85 SMN1; SMN2 (0.53) SMN1; SMN2F2F10TSHRALDH1A1
SCHEMBL14338691 0.84 TSHR (0.53) SMN1; SMN2TSHRALDH1A1
SCHEMBL4206102 0.84 TSHR (0.53) SMN1; SMN2TSHRALDH1A1
SCHEMBL12446348 0.84 MMP8 (0.51) SMN1; SMN2TSHRALDH1A1FAAHPPID
SCHEMBL8903673 0.83 F2 (0.55) SMN1; SMN2F2F10TSHRALDH1A1
SCHEMBL7328942 0.83 F2 (0.52) SMN1; SMN2F2F10TSHRALDH1A1
SCHEMBL2311407 0.83 F2 (0.55) SMN1; SMN2F2F10TSHRALDH1A1
SCHEMBL5552886 0.83 F2 (0.52) SMN1; SMN2F2F10TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065349-A1 Asymmetric 1,4-reductions of and 1,4-additions to enoates and related systems BUCHWALD STEPHEN L (US) 2005-03-24 US disclosed
US-6787655-B2 TRANSITION-METAL-CATALYZED ASYMMETRIC 1,4-ADDITION OF A NUCLEOPHILE, E.G., HYDRIDE, TO CYCLIC AND ACYCLIC ENOATES AND ENONES AND THE CATALYST CONTAINING A COPPER AND AN ASYMMETRIC BIDENTATE BISPHOSPHINE LIGAND MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-09-07 US disclosed
US-20030125563-A1 Asymmetric 1,4-reductions of and 1,4-additions to enoates and related systems NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-07-03 US disclosed
US-6465664-B1 CATALYZED WITH A TRANSITION METAL CATALYST COMPOSED OF A COPPER COMPOUND AND AN ASYMMETRIC LIGAND, SUCH AS A PHOSPHINE, A NUCLEOPHILE AND A BASE MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2002-10-15 US disclosed
US-6369110-B1 PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM SUMITOMO PHARMACEUTICALS COMPANY (JP) 2002-04-09 US disclosed
WO-2001019761-A2 ASYMMETRIC 1,4-REDUCTIONS OF AND 1,4-ADDITIONS TO ENOATES AND RELATED SYSTEMS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-03-22 WO disclosed
EP-1083166-A1 NOVEL SUBSTITUTED GUANIDINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-03-14 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-20050065349-A1 Asymmetric 1,4-reductions of and 1,4-additions to enoates and related systems APEX1, AP2A1, ENPP1 SMN1; SMN2 3037/4885F2 572/4885F10 1912/4885
US-20030125563-A1 Asymmetric 1,4-reductions of and 1,4-additions to enoates and related systems APEX1, AP2A1, ENPP1 SMN1; SMN2 3037/4885F2 572/4885F10 1912/4885

“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.