SCHEMBL2855291

SCHEMBL2855291

CCCCCCCCCCC1O[C@@H]1CCCCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
OPRM1 P35372 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39
SPHK1 Q9NYA1 4/20 0.38
SPHK2 Q9NRA0 3/20 0.38
PRKD3 O94806 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38
PRKCA P17252 1/20 0.38
PRKCH P24723 1/20 0.38
PRKCI P41743 1/20 0.38
PRKCE Q02156 1/20 0.38
PRKCQ Q04759 1/20 0.38
PRKCZ Q05513 1/20 0.38
PRKCD Q05655 1/20 0.38
PRKD1 Q15139 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL29018392 1.00 ALDH1A1 (0.40) ALDH1A1OPRM1DAGLASPHK1SPHK2
SCHEMBL31508942 1.00 ALDH1A1 (0.40) ALDH1A1OPRM1DAGLASPHK1SPHK2
SCHEMBL31509415 1.00 ALDH1A1 (0.40) ALDH1A1OPRM1DAGLASPHK1SPHK2
SCHEMBL432739 1.00 ALDH1A1 (0.40) ALDH1A1OPRM1DAGLASPHK1SPHK2
SCHEMBL11711588 1.00 ALDH1A1 (0.40) ALDH1A1OPRM1DAGLASPHK1SPHK2
SCHEMBL7780752 1.00 ALDH1A1 (0.40) ALDH1A1OPRM1DAGLASPHK1SPHK2
SCHEMBL6589677 1.00 ALDH1A1 (0.40) ALDH1A1OPRM1DAGLASPHK1SPHK2
SCHEMBL593048 1.00 ALDH1A1 (0.40) ALDH1A1OPRM1DAGLASPHK1SPHK2
SCHEMBL2855219 1.00 ALDH1A1 (0.40) ALDH1A1OPRM1DAGLASPHK1SPHK2
SCHEMBL6473662 0.98 ALDH1A1 (0.39) ALDH1A1OPRM1DAGLASPHK1SPHK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242509-B1 HYPERBRANCHED POLYOL MACROMOLECULE, METHOD OF MAKING SAME, AND COATING COMPOSITION INCLUDING SAME BASF COATINGS GMBH (DE) 2013-08-21 EP claimed
EP-1221836-B1 NOVEL BISEXUAL ATTRACTANTS, AGGREGANTS AND ARRESTANTS FOR ADULTS AND LARVAE OF CODLING MOTH AND OTHER SPECIES OF LEPIDOPTERA TRECE INC (US) 2010-01-20 EP claimed
US-3975409-A MULTISTAGE BAYER AKTIENGESELLSCHAFT (DT) 1976-08-17 US claimed
US-20130045178-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTH, Lymantria dispar SIMON FRASER UNIVERSITY (CA) 2013-02-21 US disclosed
US-20100297059-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, LYMANRIA DISPAR SIMON FRASER UNIVERSITY (CA) 2010-11-25 US disclosed
US-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar SIMON FRASER UNIVERSITY (CA) 2010-07-29 US disclosed
US-20070042030-A1 Preparation for the application of agents in mini-droplets IDEA AG (DE) 2007-02-22 US disclosed
EP-0475160-B2 Preparation for drug application in minute droplet form IDEA AG (DE) 2004-07-14 EP disclosed
EP-0845942-B1 PESTICIDES BAYER AG (DE) 2002-10-09 EP disclosed
US-6165500-A Preparation for the application of agents in mini-droplets IDEA AG (DE) 2000-12-26 US disclosed
EP-0721735-B1 Pesticide BAYER AG (DE) 1999-08-04 EP disclosed
EP-0845942-A1 PESTICIDES BAYER AG (DE) 1998-06-10 EP disclosed
WO-1997005778-A1 PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-02-20 WO disclosed
EP-0721735-A1 Pesticide BAYER AG (DE) 1996-07-17 EP disclosed
EP-0475160-B1 Preparation for drug application in minute droplet form IDEA AG (DE) 1996-02-14 EP disclosed
EP-0475160-A1 Preparation for drug application in minute droplet form Cevc, Gregor, Prof. Dr. (DE) 1992-03-18 EP disclosed
WO-1992003122-A1 PREPARATION FOR APPLICATION OF ACTIVE SUBSTANCES IN THE FORM OF MINIMUM-SIZED DROPLETS CEVC GREGOR (DE) 1992-03-05 WO disclosed
US-4036858-A METATHESIS REACTION, EPOXIDATION CHEMISCHE WERKE HULS AKTIENGESELLSCHAFT (DT) 1977-07-19 US disclosed
US-3975409-A MULTISTAGE BAYER AKTIENGESELLSCHAFT (DT) 1976-08-17 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 (4 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-20130045178-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTH, Lymantria dispar L3MBTL3, L3MBTL4, L3MBTL1 ALDH1A1 4074/4885OPRM1 1334/4885DAGLA 53/4885
US-20100190865-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, Lymanria dispar L3MBTL3, L3MBTL4, L3MBTL1 ALDH1A1 4132/4885OPRM1 1236/4885DAGLA 36/4885
US-20100297059-A1 METHODS AND COMPOSITIONS FOR CONTROL OF GYPSY MOTHS, LYMANRIA DISPAR L3MBTL3, L3MBTL4, L3MBTL1 ALDH1A1 4180/4885OPRM1 1224/4885DAGLA 40/4885
US-20070042030-A1 Preparation for the application of agents in mini-droplets FABP4, NPC1L1, LIPA ALDH1A1 3560/4885OPRM1 3886/4885DAGLA 19/4885

“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.