SCHEMBL3917890

SCHEMBL3917890

CNC(=O)CCCCCCCCC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
HSP90AA1 P07900 1/20 0.39
FAAH O00519 5/20 0.38
RECQL P46063 1/20 0.38
GAA P10253 1/20 0.37
NAMPT P43490 1/20 0.36
FFAR1 O14842 1/20 0.35
CPT2 P23786 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL10253845 1.00 ALDH1A1 (0.44) ALDH1A1LMNACNR1CNR2HDAC3
SCHEMBL195634 1.00 ALDH1A1 (0.44) ALDH1A1LMNACNR1CNR2HDAC3
SCHEMBL3922201 0.98 ALDH1A1 (0.45) ALDH1A1LMNACNR1CNR2HDAC3
SCHEMBL12745317 0.91 LMNA (0.44) ALDH1A1LMNACNR1CNR2HDAC3
SCHEMBL24469051 0.89 CASP2 (0.46) ALDH1A1FAAHRECQLNAMPTMEN1
SCHEMBL6159056 0.83 HDAC3 (0.55) LMNAHDAC3HDAC1HDAC2HDAC8
SCHEMBL29315161 0.83 HDAC3 (0.55) LMNAHDAC3HDAC1HDAC2HDAC8
SCHEMBL5909483 0.83 HDAC3 (0.55) LMNAHDAC3HDAC1HDAC2HDAC8
SCHEMBL5909431 0.83 HDAC3 (0.55) LMNAHDAC3HDAC1HDAC2HDAC8
SCHEMBL12333287 0.83 HDAC3 (0.55) LMNAHDAC3HDAC1HDAC2HDAC8

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
US-20090131657-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES BASF SE (DE) 2009-05-21 US disclosed
EP-2032527-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES BASF SE (DE) 2009-03-11 EP disclosed
WO-2007144281-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES BASF SE (DE) 2007-12-21 WO disclosed
US-5962394-A MIXTURE CONTAINING ANIONIC SURFACTANT, ALCOHOL AND ETHER COLGATE-PALMOLIVE CO. (US) 1999-10-05 US disclosed
EP-0748865-B1 Stable liquid cleaners containing pine oil COLGATE PALMOLIVE CO (US) 1999-05-12 EP disclosed
US-5866534-A MIXTURE WITH SURFACTANT, ALCOHOL AND GLYCOL ETHER COLGATE-PALMOLIVE CO. (US) 1999-02-02 US disclosed
EP-0748865-A1 Stable liquid cleaners containing pine oil Colgate-Palmolive Company (a Delaware corporation) (US) 1996-12-18 EP disclosed
US-5258408-A Process of repelling insects from an area by application of N-alkyl neoalkanamide insect repellent thereto COLGATE-PALMOLIVE COMPANY (US) 1993-11-02 US disclosed
US-5182304-A Incorporated in detergents COLGATE-PALMOLIVE CO. (US) 1993-01-26 US disclosed
US-5006562-A Incorporation into cleaning compounds such as detergents, also into waxes, cosmetics and shelf paper COLGATE-PALMOLIVE CO. (US) 1991-04-09 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-20090131657-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES PRMT5, CYC1, CBR3 ALDH1A1 1506/4885LMNA 2037/4885CNR1 70/4885

“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.