SCHEMBL4598928

SCHEMBL4598928

O=C(O)CCCCCCCC(C(=O)O)N1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
PMP22 Q01453 1/20 0.41
GSTK1 Q9Y2Q3 2/20 0.41
FFAR4 Q5NUL3 2/20 0.40
FFAR1 O14842 2/20 0.40
DPP7 Q9UHL4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ENPEP Q07075 1/20 0.37
GPR84 Q9NQS5 1/20 0.36

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
SCHEMBL28297074 0.85 CYP1A2 (0.43) CYP1A2MAPK1SMN1; SMN2NFKB1DPP7
SCHEMBL29085077 0.83 SIGMAR1 (0.41) LMNATSHRNFKB1PMP22GSTK1
SCHEMBL28131788 0.83 ALDH1A1 (0.40) CYP1A2MAPK1SMN1; SMN2LMNATSHR
SCHEMBL28687392 0.83 MAPT (0.49) MAPK1FFAR1GPR84
SCHEMBL10448991 0.83 MAPT (0.49) MAPK1FFAR1GPR84
SCHEMBL22433662 0.81 GPR84 (0.48) MAPK1FFAR1GPR84
SCHEMBL4410674 0.79 CYP1A2 (0.46) CYP1A2MAPK1SMN1; SMN2LMNATSHR
SCHEMBL14093946 0.79 MAPT (0.41) SMN1; SMN2LMNADPP7ALDH1A1
SCHEMBL22500187 0.79 SIGMAR1 (0.48) MAPK1ALDH1A1
Adipic Acid SCHEMBL31405497 0.77 SIGMAR1 (0.41) CYP1A2MAPK1SMN1; SMN2LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120308814-A1 Method for Stabilizing Polyacrylate Pressure-Sensitive Adhesives in Admixture with Adhesive Resins TESA SE (DE) 2012-12-06 US disclosed
EP-1910462-A2 STABILISED HDK SUSPENSIONS FOR REINFORCEMENT OF REACTIVE RESINS Wacker Chemie AG (DE) 2008-04-16 EP disclosed
WO-2007012547-A2 STABILISED HDK SUSPENSIONS FOR REINFORCEMENT OF REACTIVE RESINS WACKER CHEMIE AG (DE) 2007-02-01 WO disclosed
US-6013727-A BLEND OF THERMOPLASTIC ENGINEERING RESIN AND A HALOGENATED COPOLYMER OF A C4 TO C7 ISOMONOOLEFIN AND A PARA-ALKYLSTYRENE WHICH CAN BE DYNAMICALLY VULCANIZED; IMPROVED PROPERTIES SUCH AS SOFTENING TEMPERATURE, AND RESISTANCE TO COMPRESSION SET EXXON CHEMICAL PATENTS, INC. (US) 2000-01-11 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-20120308814-A1 Method for Stabilizing Polyacrylate Pressure-Sensitive Adhesives in Admixture with Adhesive Resins TTPA, SORBS1, TXN CYP1A2 3204/4885MAPK1 2174/4885SMN1; SMN2 3182/4885

“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.