SCHEMBL9747683

SCHEMBL9747683

CCCCCCCCCCC(CO)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.58
LMNA P02545 1/20 0.57
TRPA1 O75762 1/20 0.46
CNR2 P34972 1/20 0.45
MMP2 P08253 11/20 0.44
MMP1 P03956 6/20 0.44
MMP3 P08254 6/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MMP7 P09237 2/20 0.41

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
SCHEMBL17027839 1.00 CSNK1E (0.58) CSNK1ELMNATRPA1CNR2MMP2
SCHEMBL10521595 1.00 CSNK1E (0.58) CSNK1ELMNATRPA1CNR2MMP2
SCHEMBL10965122 1.00 CSNK1E (0.58) CSNK1ELMNATRPA1CNR2MMP2
SCHEMBL9280760 1.00 CSNK1E (0.58) CSNK1ELMNATRPA1CNR2MMP2
SCHEMBL10519442 1.00 CSNK1E (0.58) CSNK1ELMNATRPA1CNR2MMP2
SCHEMBL9665073 1.00 CSNK1E (0.58) CSNK1ELMNATRPA1CNR2MMP2
SCHEMBL20164916 0.98 CSNK1E (0.55) CSNK1ELMNATRPA1CNR2MMP2
SCHEMBL111455 0.98 CSNK1E (0.55) CSNK1ELMNATRPA1CNR2MMP2
SCHEMBL8093074 0.89 CSNK1E (0.60) CSNK1ECNR2MMP2MMP1MMP3
SCHEMBL22806767 0.89 CSNK1E (0.60) CSNK1ECNR2MMP2MMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4648984-A 2-BENZYL-1-ALKANOL POLYGLYCOL ETHERS; WETTING AGENTS, DISPERSANTS, EMULSIFIERS AND DETERGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1987-03-10 US claimed
US-9758445-B2 Preparation of surfactants via cross-metathesis MATERIA, INC. (US) 2017-09-12 US disclosed
US-20160186094-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA, INC. 2016-06-30 US disclosed
WO-2015126462-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA, INC. (US) 2015-08-27 WO disclosed
EP-0212610-B1 USE OF 2-ALKYLALKANOL-1-POLYGLYCOL ETHER Henkel Kommanditgesellschaft auf Aktien (DE) 1992-01-22 EP disclosed
EP-0224523-B1 PARTIAL ESTHERS OF 2-BENZYLALKANOLS-(1) AND 2-BENZYLALKANOL-1-POLYGLYCOL ETHERS AS WELL AS PRODUCTION PROCESS THEREOF Henkel Kommanditgesellschaft auf Aktien (DE) 1989-03-01 EP disclosed
US-4772670-A Emulsion polymerization compositions containing 2-alkyl-1-alkanol polyglycolethers HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1988-09-20 US disclosed
EP-0233193-A1 2-BENZYLALCANOL-1-POLYGLYCOL ETHER AND PRODUCTION PROCESS THEREOF Henkel Kommanditgesellschaft auf Aktien (DE) 1987-08-26 EP disclosed
EP-0224523-A1 PARTIAL ESTHERS OF 2-BENZYLALKANOLS-(1) AND 2-BENZYLALKANOL-1-POLYGLYCOL ETHERS AS WELL AS PRODUCTION PROCESS THEREOF. HENKEL KGAA (DE) 1987-06-10 EP disclosed
US-4648984-A 2-BENZYL-1-ALKANOL POLYGLYCOL ETHERS; WETTING AGENTS, DISPERSANTS, EMULSIFIERS AND DETERGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1987-03-10 US disclosed
EP-0212610-A2 Use of 2-alkylalkanol-1-polyglycol ether Henkel Kommanditgesellschaft auf Aktien (DE) 1987-03-04 EP disclosed
WO-1986007356-A1 PARTIAL ESTHERS OF 2-BENZYLALKANOLS-(1) AND 2-BENZYLALKANOL-1-POLYGLYCOL ETHERS AS WELL AS PRODUCTION PROCESS THEREOF HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1986-12-18 WO disclosed
WO-1986007352-A1 2-BENZYLALCANOL-1-POLYGLYCOL ETHER AND PRODUCTION PROCESS THEREOF HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1986-12-18 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 (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-20160186094-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS SMURF2, EPHX2, SMURF1 CSNK1E 4831/4885LMNA 1872/4885TRPA1 1614/4885

“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.