SCHEMBL4633356

SCHEMBL4633356

CCCC[C](C)C(C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.40
CES2 O00748 5/20 0.39
ALDH1A1 P00352 3/20 0.36
TP53 P04637 1/20 0.36
CA1 P00915 1/20 0.35
LMNA P02545 3/20 0.32
MEN1 O00255 1/20 0.32
FAAH O00519 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
OPRM1 P35372 1/20 0.31
AKR1B1 P15121 1/20 0.31

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
SCHEMBL28027383 0.92 CES2 (0.42) CES1CES2ALDH1A1LMNAMEN1
SCHEMBL3917215 0.86 CES1 (0.32) CES1CES2
SCHEMBL743494 0.77
SCHEMBL10686722 0.74 CES2 (0.48) CES1CES2ALDH1A1TP53CA1
SCHEMBL15910517 0.73
SCHEMBL16194365 0.72
SCHEMBL11126902 0.72 CES1 (0.40) CES1CES2ALDH1A1TP53CA1
SCHEMBL7116034 0.70 CA1 (0.43) CES1CES2ALDH1A1TP53CA1
SCHEMBL25595554 0.69 LMNA (0.39) CES1CES2ALDH1A1LMNAMEN1
SCHEMBL18613979 0.69 CES2 (0.46) CES1CES2ALDH1A1LMNAMEN1

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
EP-2718016-B1 NEW COMPLEXES OF RUTHENIUM, METHOD FOR THEIR PREPARATION, AND THEIR APPLICATION IN OLEFIN METATHESIS REACTIONS UMICORE AG & CO KG (DE) 2019-08-14 EP disclosed
EP-2718016-A1 NEW COMPLEXES OF RUTHENIUM, METHOD FOR THEIR PREPARATION, AND THEIR APPLICATION IN OLEFIN METATHESIS REACTIONS Umicore AG & Co. KG (DE) 2014-04-16 EP disclosed
EP-2644284-A1 Group 2 Imidazolate Formulations for Direct Liquid Injection Air Products and Chemicals, Inc. (US) 2013-10-02 EP disclosed
WO-2012168183-A1 NEW COMPLEXES OF RUTHENIUM, METHOD FOR THEIR PREPARATION, AND THEIR APPLICATION IN OLEFIN METATHESIS REACTIONS UMICORE AG & CO. KG (DE) 2012-12-13 WO disclosed
EP-1928243-A2 THIAZOLES USED AS FUNGICIDES Bayer CropScience AG (DE) 2008-06-11 EP disclosed
WO-2007033780-A2 THIAZOLES USED AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2007-03-29 WO disclosed
US-7030135-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2006-04-18 US disclosed
WO-2005093476-A1 TRANSPARENT FILM AND OPTICAL COMPENSATORY FILM, POLARIZING PLATE AND LIQUID-CRYSTAL DISPLAY DEVICE EMPLOYING IT FUJI PHOTO FILM CO., LTD. (JP) 2005-10-06 WO disclosed
US-6913903-B2 Methods of synthesizing insulin polypeptide-oligomer conjugates, and proinsulin polypeptide-oligomer conjugates and methods of synthesizing same NOBEX CORPORATION (US) 2005-07-05 US disclosed
US-20030199501-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2003-10-23 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-20030199501-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD3B1, HSD17B1 CES1 21/4885CES2 509/4885ALDH1A1 409/4885

“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.