SCHEMBL6521499

SCHEMBL6521499

O=C1C=C(CCc2ccccc2)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
FFAR1 O14842 1/20 0.46
PARP1 P09874 1/20 0.43
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KEAP1 Q14145 1/20 0.39
HPGD P15428 2/20 0.39
PARK7 Q99497 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HDAC1 Q13547 3/20 0.37
HDAC3 O15379 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL9609548 0.96 POLB (0.51) POLBFFAR1PARP1MAOAMAOB
SCHEMBL6517311 0.89 POLB (0.42) POLBFFAR1PARP1MAOAMAOB
SCHEMBL7518433 0.83 POLB (0.49) POLBMAOAMAOBKMT2AL3MBTL1
SCHEMBL6647917 0.79 POLB (0.53) POLBMAOAMAOBL3MBTL1MAPT
SCHEMBL275273 0.76 DRD2 (0.48) POLB
SCHEMBL5798174 0.73 HPGD (0.59) FFAR1MAOAMAOBMEN1KMT2A
SCHEMBL23386096 0.71 LTA4H (0.41) POLBMAPTALDH1A1
Cyclooctane SCHEMBL18187569 0.70 SIGMAR1 (0.58) MAOAMAOBHSD17B10HPGDALDH1A1
SCHEMBL55138 0.69 MAOB (0.72) FFAR1MAOAMAOBHSD17B10HPGD
SCHEMBL12506236 0.69 MAOB (0.72) FFAR1MAOAMAOBHSD17B10HPGD

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 5 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
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

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 POLB 2479/4885FFAR1 2622/4885PARP1 216/4885
US-20030125563-A1 Asymmetric 1,4-reductions of and 1,4-additions to enoates and related systems APEX1, AP2A1, ENPP1 POLB 2479/4885FFAR1 2622/4885PARP1 216/4885

“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.