SCHEMBL2286701

SCHEMBL2286701

CCCC1CCC(=O)C(C(=O)OC)C1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 8/20 0.56
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 4/20 0.38
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL857295 0.87 TLR4 (0.48) TLR4ALDH1A1KMT2AMAPTKDM4E
SCHEMBL8234310 0.82 TLR4 (0.56) TLR4ALDH1A1KMT2AMAPTLMNA
SCHEMBL1198839 0.76 CPB1 (0.42) TLR4ALDH1A1MAPTTSHRHTT
SCHEMBL989622 0.75
SCHEMBL3628762 0.75
SCHEMBL11065341 0.75 TLR4 (0.40) TLR4ALDH1A1KMT2AMAPTTSHR
SCHEMBL1651765 0.75 TLR4 (0.40) TLR4SMN1; SMN2
SCHEMBL8904452 0.73 TLR4 (0.69) TLR4MAPT
SCHEMBL11066052 0.73 TSHR (0.33) TLR4ALDH1A1MAPTTSHRHTT
SCHEMBL10450947 0.72 TLR4 (0.49) TLR4ALDH1A1KMT2AMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963300-B1 BENZOCHROMENE DERIVATIVES FOR USE IN LIQUID CRYSTAL MEDIA AND AS THERAPEUTIC ACTIVE SUBSTANCES MERCK PATENT GMBH (DE) 2012-08-22 EP disclosed
EP-1963298-B1 Benzochromene derivatives MERCK PATENT GMBH (DE) 2011-11-02 EP disclosed
US-7998541-B2 Benzochromene derivatives for use in liquid crystal media and as therapeutic active substances MERCK PATENT GMBH (DE) 2011-08-16 US disclosed
US-7998541-B2 Benzochromene derivatives for use in liquid crystal media and as therapeutic active substances MERCK PATENT GMBH (DE) 2011-08-16 US disclosed
US-7998541-B2 Benzochromene derivatives for use in liquid crystal media and as therapeutic active substances MERCK PATENT GMBH (DE) 2011-08-16 US disclosed
US-7824745-B2 Benzochromene derivatives MERCK PATENT GMBH (DE) 2010-11-02 US disclosed
US-7824745-B2 Benzochromene derivatives MERCK PATENT GMBH (DE) 2010-11-02 US disclosed
US-7824745-B2 Benzochromene derivatives MERCK PATENT GMBH (DE) 2010-11-02 US disclosed
US-20090247620-A1 Benzochromene Derivatives for Use in Liquid Crystal Media and as Therapeutic Active Substances MERCK PATENT GMBH (DE) 2009-10-01 US disclosed
US-20090247620-A1 Benzochromene Derivatives for Use in Liquid Crystal Media and as Therapeutic Active Substances MERCK PATENT GMBH (DE) 2009-10-01 US disclosed
US-20090247620-A1 Benzochromene Derivatives for Use in Liquid Crystal Media and as Therapeutic Active Substances MERCK PATENT GMBH (DE) 2009-10-01 US disclosed
US-20090023802-A1 Benzochromene Derivatives MERCK PATENT GMBH (DE) 2009-01-22 US disclosed
US-20090023802-A1 Benzochromene Derivatives MERCK PATENT GMBH (DE) 2009-01-22 US disclosed
US-20090023802-A1 Benzochromene Derivatives MERCK PATENT GMBH (DE) 2009-01-22 US disclosed
WO-2007079842-A1 BENZOCHROMENE DERIVATIVES FOR USE IN LIQUID CRYSTAL MEDIA AND AS THERAPEUTIC ACTIVE SUBSTANCES MERCK PATENT GMBH (DE) 2007-07-19 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-20090247620-A1 Benzochromene Derivatives for Use in Liquid Crystal Media and as Therapeutic Active Substances LPO, SBDS, OCIAD1 TLR4 833/4885ALDH1A1 1625/4885KMT2A 4533/4885
US-20090023802-A1 Benzochromene Derivatives SBDS, CRY1, DDT TLR4 498/4885ALDH1A1 676/4885KMT2A 4195/4885

“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.